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1 | CHEMBL ID | ROCS_TanimotoCombo | target__name | target__chemblid | target__confidence | reference | name__in__reference | organism | bioactivity__type | operator | value | units | assay__chemblid | assay__type | assay__description | |||||||||||
2 | CHEMBL86751 | 1.409 | Carbonic anhydrase II | CHEMBL205 | 9 | J. Med. Chem., (1999) 42:14:2641 | 4A | Homo sapiens | Ki | =' | 250 | nM | CHEMBL657148 | B | Inhibitory activity against human cloned Carbonic anhydrase II (hCA II, cytosolic form). | |||||||||||
3 | CHEMBL86751 | 1.409 | Carbonic anhydrase IV | CHEMBL281 | 8 | J. Med. Chem., (1999) 42:14:2641 | 4A | Bos taurus | Ki | =' | 305 | nM | CHEMBL657025 | B | Inhibitory activity against bovine lung microsomes carbonic anhydrase isozyme IV (bCA IV). | |||||||||||
4 | CHEMBL2205773 | 1.365 | PI3-kinase p110-gamma subunit | CHEMBL3267 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:14:4613 | 10 | Homo sapiens | IC50 | =' | 19.95 | nM | CHEMBL2215893 | B | Inhibition of PI3Kgamma by kinobeads assay | |||||||||||
5 | CHEMBL2069711 | 1.218 | Cyclin-dependent kinase 2/cyclin E1 | CHEMBL1907605 | 7 | Bioorg. Med. Chem. Lett., (2012) 22:18:5919 | 4a | Homo sapiens | IC50 | =' | 4500 | nM | CHEMBL2072226 | B | Inhibition of human recombinant Cdk2/cyclin E incubated for 40 mins by scintillation proximity assay | |||||||||||
6 | CHEMBL2069711 | 1.218 | Cyclin-dependent kinase 5/CDK5 activator 1 | CHEMBL1907600 | 7 | Bioorg. Med. Chem. Lett., (2012) 22:18:5919 | 4a | Homo sapiens | IC50 | =' | 551 | nM | CHEMBL2072225 | B | Inhibition of human recombinant Cdk5/p25 incubated for 15 mins by scintillation proximity assay | |||||||||||
7 | CHEMBL1423690 | 1.166 | M18 aspartyl aminopeptidase | CHEMBL1293263 | 9 | Unspecified | SID3716671 | Plasmodium falciparum 3D7 | IC50 | =' | 4284 | nM | CHEMBL1614006 | B | PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay for inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PFM18AAP). (Class of assay: confirmatory) [Related PubChem assays: 2170 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] | |||||||||||
8 | CHEMBL1836386 | 1.426 | LIM domain kinase 1 | CHEMBL3836 | 8 | Bioorg. Med. Chem. Lett., (2011) 21:19:5992 | 39 | Homo sapiens | IC50 | =' | 3200 | nM | CHEMBL1839797 | B | Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by Kinase-Glo assay | |||||||||||
9 | CHEMBL125928 | 1.388 | Human immunodeficiency virus type 1 reverse transcriptase | CHEMBL247 | 9 | J. Med. Chem., (1998) 41:20:3793 | 30 | Human immunodeficiency virus 1 | IC50 | =' | 230 | nM | CHEMBL799144 | B | Inhibition of HIV-1 reverse transcriptase (P236L) | |||||||||||
10 | CHEMBL107167 | 1.369 | Dihydrofolate reductase | CHEMBL2902 | 9 | J. Med. Chem., (1993) 36:21:3103 | table 2 | Lactobacillus casei | IC50 | =' | 2000 | nM | CHEMBL884365 | B | Tested for inhibitory activity against dihydrofolate reductase in Lactobacillus casei | |||||||||||
11 | CHEMBL1095649 | 1.358 | Phosphodiesterase 4 | CHEMBL2093863 | 5 | Bioorg. Med. Chem., (2010) 18:10:3506 | 10e | Homo sapiens | IC50 | =' | 385 | nM | CHEMBL1106451 | B | Inhibition of PDE4 in human U937 cells after 30 mins by electrochemiluminescence based immunoassay | |||||||||||
12 | CHEMBL510249 | 1.356 | Fructose-1,6-bisphosphatase | CHEMBL3975 | 9 | J. Med. Chem., (2009) 52:9:2880 | 4.9 | Homo sapiens | IC50 | =' | 1800 | nM | CHEMBL981259 | B | Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry | |||||||||||
13 | CHEMBL3701444 | 1.354 | Tyrosine-protein kinase SYK | CHEMBL2599 | 9 | Unspecified | 164 | Homo sapiens | IC50 | =' | 38 | nM | CHEMBL3705362 | B | BindingDB_Patents: Mobility-Shift kinase assay. Compounds of the examples provided herein were assessed for their ability to inhibit Syk kinase by utilizing Caliper Life Sciences' proprietary LabChip technology. The off-chip incubation mobility-shift kinase assay uses a microfluidic chip to measure the conversion of a fluorescent peptide substrate to a phosphorylated product. The reaction mixture, from a microtiter plate well, is introduced through a capillary sipper onto the chip, where the nonphosphorylated substrate and phosphorylated product are separated by electrophoresis and detected via laser induced fluorescence. The signature of the fluorescence signal over time reveals the extent of the reaction. The phosphorylated product migrates through the chip faster than the non-phosphorylated substrate, and signals from the two forms of the peptide appear as distinct peaks. | |||||||||||
14 | CHEMBL571385 | 1.336 | Carbonic anhydrase IX | CHEMBL3594 | 9 | Bioorg. Med. Chem., (2009) 17:20:7093 | 2a | Homo sapiens | Ki | =' | 6.1 | nM | CHEMBL1046494 | B | Inhibition of human recombinant CA9 catalytic domain expressed in Sf9 cells by stopped flow CO2 hydration assay | |||||||||||
15 | CHEMBL571385 | 1.336 | Carbonic anhydrase XII | CHEMBL3242 | 9 | Bioorg. Med. Chem., (2009) 17:20:7093 | 2a | Homo sapiens | Ki | =' | 7.3 | nM | CHEMBL1046495 | B | Inhibition of human recombinant CA12 catalytic domain expressed in Sf9 cells by stopped flow CO2 hydration assay | |||||||||||
16 | CHEMBL571385 | 1.336 | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) | CHEMBL5767 | 9 | Bioorg. Med. Chem. Lett., (2009) 19:17:4929 | 5a | Mycobacterium tuberculosis | Ki | =' | 9230 | nM | CHEMBL1048176 | B | Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay | |||||||||||
17 | CHEMBL571385 | 1.336 | Uncharacterized protein Rv1284/MT1322 | CHEMBL5631 | 9 | Bioorg. Med. Chem. Lett., (2009) 19:17:4929 | 5a | Mycobacterium tuberculosis | Ki | =' | 8970 | nM | CHEMBL1048175 | B | Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by stopped flow CO2 hydration assay | |||||||||||
18 | CHEMBL3608876 | 1.324 | Carbonic anhydrase I | CHEMBL261 | 9 | Unspecified | 9e | Homo sapiens | Ki | =' | 289 | nM | CHEMBL3610377 | B | Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method | |||||||||||
19 | CHEMBL1339149 | 1.32 | Mannose-6-phosphate isomerase | CHEMBL2758 | 9 | Unspecified | SID24834029 | Homo sapiens | IC50 | =' | 5250.1 | nM | CHEMBL1614255 | B | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays: 1220 ] | |||||||||||
20 | CHEMBL1339149 | 1.32 | Phosphoethanolamine/phosphocholine phosphatase | CHEMBL6113 | 9 | Unspecified | SID56373499 | Homo sapiens | IC50 | =' | 495 | nM | CHEMBL1738189 | B | PUBCHEM_BIOASSAY: SAR assay for compounds that inhibit PHOSPHO1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1545, AID1565, AID1574] | |||||||||||
21 | CHEMBL3403322 | 1.317 | Intestinal alkaline phosphatase | CHEMBL5695 | 9 | Bioorg. Med. Chem., (2015) 23:10:2435 | 2d | Bos taurus | IC50 | =' | 9750 | nM | CHEMBL3404592 | B | Inhibition of calf intestinal alkaline phosphatase using CDP-star chemiluminescent substrate assessed as change in luminescence by spectrophotometric method | |||||||||||
22 | CHEMBL2414439 | 1.31 | Carbonic anhydrase VII | CHEMBL2326 | 9 | Bioorg. Med. Chem., (2013) 21:17:5168 | 4 | Homo sapiens | Ki | =' | 3.5 | nM | CHEMBL2415806 | B | Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay | |||||||||||
23 | CHEMBL2011909 | 1.31 | Serine/threonine-protein kinase TBK1 | CHEMBL5408 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:5:2063 | 2g | Homo sapiens | IC50 | =' | 9550 | nM | CHEMBL2013355 | B | Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay | |||||||||||
24 | CHEMBL3110226 | 1.308 | CDK2/Cyclin A | CHEMBL3038469 | 7 | J. Med. Chem., (2014) 57:1:56 | 44 | Homo sapiens | IC50 | =' | 8700 | nM | CHEMBL3111100 | B | Inhibition of CDK2/Cyclin A (unknown origin) | |||||||||||
25 | CHEMBL2059908 | 1.307 | PI3-kinase p110-alpha subunit | CHEMBL4005 | 9 | Bioorg. Med. Chem. Lett., (2012) 22:14:4546 | 3, CZC19463 | Homo sapiens | IC50 | =' | 10000 | nM | CHEMBL2062043 | B | Inhibition of PI3Kalpha in human HL60 cell lysate by kinobead assay | |||||||||||
26 | CHEMBL2059908 | 1.307 | PI3-kinase p110-beta subunit | CHEMBL3145 | 9 | Bioorg. Med. Chem. Lett., (2012) 22:14:4546 | 3, CZC19463 | Homo sapiens | IC50 | =' | 2511.89 | nM | CHEMBL2062044 | B | Inhibition of PI3Kbeta in human HL60 cell lysate by kinobead assay | |||||||||||
27 | CHEMBL2059908 | 1.307 | PI3-kinase p110-delta subunit | CHEMBL3130 | 9 | Bioorg. Med. Chem. Lett., (2012) 22:16:5257 | 33 | Homo sapiens | IC50 | =' | 6309.57 | nM | CHEMBL2065219 | B | Inhibition of PI3Kdelta by high throughput chemoproteomics binding assay | |||||||||||
28 | CHEMBL3681011 | 1.303 | Serine/threonine-protein kinase ILK-1 | CHEMBL5247 | 9 | Unspecified | Table 1, cpd 27 | Homo sapiens | IC50 | =' | 1900 | nM | CHEMBL3734121 | B | Inhibition of full-length recombinant human GST-tagged ILK1 expressed in baculovirus infected insect Hi5 cells using CKRRRLASLR-amide as substrate after 15 mins by scintillation counting analysis in presence of [gamma-32P]-ATP | |||||||||||
29 | CHEMBL3612649 | 1.301 | Serine/threonine-protein kinase TNNI3K | CHEMBL5260 | 9 | J. Med. Chem., (2015) 58:18:7431 | 9 | Homo sapiens | IC50 | =' | 8000 | nM | CHEMBL3615799 | B | Displacement of 5-({[2-({[3-({4-[(5-hydroxy-2-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]carbonyl}amino)-ethyl]amino}carbonyl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid from His6-MBP-TEV-full length human TNNI3K expressed in Baculovirus expression system after 60 mins by fluorescence polarization assay | |||||||||||
30 | CHEMBL2011842 | 1.292 | Heat shock protein HSP 90-beta | CHEMBL4303 | 9 | Bioorg. Med. Chem. Lett., (2012) 22:7:2550 | 2 | Homo sapiens | IC50 | =' | 9974 | nM | CHEMBL2016162 | B | Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA | |||||||||||
31 | CHEMBL1478592 | 1.289 | Branched-chain-amino-acid aminotransferase, mitochondrial | CHEMBL3616354 | 9 | J. Med. Chem., (2016) 59:6:2452 | 18 | Homo sapiens | IC50 | =' | 7943.28 | nM | CHEMBL3795165 | B | Inhibition of human BCATm incubated for 10 mins by Amplex red- based fluorescence analysis | |||||||||||
32 | CHEMBL383603 | 1.285 | Tyrosine-protein kinase TIE-2 | CHEMBL4128 | 8 | J. Mol. Graph. Model., (2007) 26:1:236 | 73 | Homo sapiens | IC50 | =' | 1479.11 | nM | CHEMBL1243605 | B | Inhibition of Tie2 | |||||||||||
33 | CHEMBL321769 | 1.282 | Adenosine A1 receptor | CHEMBL226 | 8 | J. Med. Chem., (2004) 47:12:3019 | 43 | Homo sapiens | Ki | =' | 2200 | nM | CHEMBL643493 | B | Binding affinity against adenosine A1 receptor in human cortical membranes using [3H]CHA as radioligand | |||||||||||
34 | CHEMBL321769 | 1.282 | Adenosine A2a receptor | CHEMBL251 | 8 | J. Med. Chem., (2004) 47:12:3019 | 43 | Homo sapiens | Ki | =' | 3400 | nM | CHEMBL642332 | B | Binding affinity against adenosine A2 receptor in human striatal membranes using [3H]CGS-21680 as radioligand | |||||||||||
35 | CHEMBL1083064 | 1.273 | Acetylcholinesterase | CHEMBL220 | 8 | Eur. J. Med. Chem., (2010) 45:3:1167 | 22 | Homo sapiens | IC50 | =' | 350 | nM | CHEMBL1119333 | B | Inhibition of AChE | |||||||||||
36 | CHEMBL3600699 | 1.272 | PI4-kinase alpha subunit | CHEMBL3667 | 9 | Bioorg. Med. Chem. Lett., (2015) 25:16:3189 | 18 | Homo sapiens | IC50 | =' | 398.11 | nM | CHEMBL3603389 | B | Inhibition of N-terminal FLAG-tagged human full length recombinant PI4K3alpha using D-myo-phosphatidylinositol substrate and ATP incubated for 45 mins by ADP-Glo kinase Assay | |||||||||||
37 | CHEMBL3600699 | 1.272 | PI4-kinase beta subunit | CHEMBL3268 | 9 | Bioorg. Med. Chem. Lett., (2015) 25:16:3189 | 18 | Homo sapiens | IC50 | =' | 3981.07 | nM | CHEMBL3603390 | B | Inhibition of N-terminal GST-tagged human full length recombinant PI4K3beta expressed in Sf9 cells using D-myo-phosphatidylinositol substrate and ATP incubated for 45 mins by ADP-Glo kinase Assay | |||||||||||
38 | CHEMBL407113 | 1.266 | Glycogen synthase kinase-3 alpha | CHEMBL2850 | 8 | Bioorg. Med. Chem. Lett., (2003) 13:18:3059 | 16 | Homo sapiens | IC50 | =' | 481 | nM | CHEMBL686309 | B | Inhibitory concentration against glycogen synthase kinase-3 alpha | |||||||||||
39 | CHEMBL407113 | 1.266 | Glycogen synthase kinase-3 beta | CHEMBL262 | 8 | J. Med. Chem., (2008) 51:7:2062 | 137 | Homo sapiens | IC50 | =' | 481 | nM | CHEMBL930273 | B | Inhibition of recombinant GSK3-beta | |||||||||||
40 | CHEMBL3612661 | 1.266 | Serine/threonine-protein kinase B-raf | CHEMBL5145 | 9 | J. Med. Chem., (2015) 58:18:7431 | 21 | Homo sapiens | IC50 | =' | 63 | nM | CHEMBL3615800 | B | Inhibition of His6-tagged full length BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in Baculovirus expression system by BRAMA method | |||||||||||
41 | CHEMBL2087526 | 1.265 | MAP kinase p38 delta | CHEMBL2939 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:10:3431 | 31 | Homo sapiens | IC50 | =' | 3.1 | nM | CHEMBL2092446 | B | Inhibition of p38alpha | |||||||||||
42 | CHEMBL3415054 | 1.26 | Adenosine A3 receptor | CHEMBL256 | 9 | Unspecified | 33 | Homo sapiens | Ki | =' | 110 | nM | CHEMBL3418856 | B | Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting method | |||||||||||
43 | CHEMBL57333 | 1.258 | Thymidylate synthase | CHEMBL1952 | 9 | J. Med. Chem., (1991) 34:7:1925 | 3 | Homo sapiens | Ki | =' | 2200 | nM | CHEMBL817302 | B | Inhibition of human Thymidylate synthase (Ki) | |||||||||||
44 | CHEMBL569193 | 1.256 | Histone deacetylase 6 | CHEMBL1865 | 8 | J. Med. Chem., (2009) 52:21:6782 | 6h | Homo sapiens | IC50 | =' | 70 | nM | CHEMBL1042267 | B | Inhibition of HDAC6 | |||||||||||
45 | CHEMBL363389 | 1.255 | Vascular endothelial growth factor receptor 2 | CHEMBL279 | 9 | Bioorg. Med. Chem. Lett., (2005) 15:9:2203 | 7b | Homo sapiens | IC50 | =' | 180 | nM | CHEMBL829593 | B | Inhibitory concentration against human vascular endothelial growth factor receptor 2 | |||||||||||
46 | CHEMBL526101 | 1.25 | MAP kinase p38 alpha | CHEMBL260 | 8 | Bioorg. Med. Chem. Lett., (2008) 18:19:5285 | 16a | Homo sapiens | Ki | =' | 1100 | nM | CHEMBL997720 | B | Displacement of fluorescent ATP competitive ligand from p38alpha | |||||||||||
47 | CHEMBL3360731 | 1.248 | Monoamine oxidase B | CHEMBL2039 | 9 | Bioorg. Med. Chem. Lett., (2015) 25:3:642 | 2 | Homo sapiens | IC50 | =' | 6 | nM | CHEMBL3377807 | B | Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells using p-tyramine substrate assessed as reduction in H2O2 production | |||||||||||
48 | CHEMBL2070915 | 1.248 | Phosphodiesterase 8B | CHEMBL4408 | 9 | Bioorg. Med. Chem. Lett., (2012) 22:17:5721 | SI,63 | Homo sapiens | IC50 | =' | 551 | nM | CHEMBL2073616 | B | Inhibition of PDE8B expressed in Sf9 insect cells | |||||||||||
49 | CHEMBL3668079 | 1.248 | Serine/threonine-protein kinase/endoribonuclease IRE1 | CHEMBL1163101 | 9 | Unspecified | 64 | Homo sapiens | IC50 | < | 100 | nM | CHEMBL3705669 | B | BindingDB_Patents: Inhibition Assay. A fusion protein comprising glutathione S transferase (GST) and human IRE-1alpha (GST-IRE-1alpha) obtained from a 500 ml baculovirus-infected insect cell culture can be used to measure IRE-1alpha activity in vitro. Five ul of a reaction mixture comprising IX reaction buffer (5x reaction buffer is 100 mM Hepes pH 7.5, 250 mM KOAc, 2.5 mM MgCl2), 3 mM DTT, and 0.4% polyethylene glycol water is added to each well of 384 well plates. Twenty-five nanoliters of a 1 mM test compound solution are added to test wells. Three ul of a 128 ng/ml IRE-1alpha preparation are added to each test well and to positive control wells (final concentration 5.82 ng/well). Negative control wells contain only reaction mixture and test compound.After spinning the plates at 1200 rpm for 30 seconds, 3 ul of an IRE-1alpha human mini-XBP-1 mRNA stem-loop substrate 5'-CAGUCCGCAGCACUG-3' (SEQ ID NO:1), labeled with the fluorescent dye Cy5 at the 5' end and Black Hole Quencher 2. | |||||||||||
50 | CHEMBL1836722 | 1.247 | Mitogen-activated protein kinase kinase kinase 8 | CHEMBL4899 | 8 | Bioorg. Med. Chem. Lett., (2011) 21:19:5952 | 15 | Homo sapiens | IC50 | =' | 7100 | nM | CHEMBL1838148 | B | Inhibition of TPL2 | |||||||||||
51 | CHEMBL578168 | 1.246 | Pteridine reductase 1 | CHEMBL6194 | 9 | J. Med. Chem., (2010) 53:1:221 | 12 | Leishmania major | Ki | =' | 4200 | nM | CHEMBL1037349 | B | Inhibition of Leishmania major recombinant PTR1 | |||||||||||
52 | CHEMBL3680043 | 1.244 | Hepatocyte growth factor receptor | CHEMBL3717 | 9 | Unspecified | 57 | Homo sapiens | IC50 | =' | 37 | nM | CHEMBL3705632 | B | BindingDB_Patents: Tyrosine Kinase Activity Assay. Tyrosine kinase activity assay (NADH Read-Out)using human c-Met protein (Invitrogen, Carlsbad, Calif., USA). The amount of phosphorylated substrate is evaluated by measurement of the decrease of NADH fluorescence. | |||||||||||
53 | CHEMBL59263 | 1.24 | GABA-A receptor; anion channel | CHEMBL1907607 | 5 | Bioorg. Med. Chem. Lett., (1997) 7:15:2003 | 25 | Rattus norvegicus | Ki | =' | 8 | nM | CHEMBL652454 | B | Displacement of [3H]flunitrazepine binding from GABA-A central benzodiazepine receptor of rat cerebral cortical membrane | |||||||||||
54 | CHEMBL1834444 | 1.238 | Acyl-CoA desaturase 1 | CHEMBL5424 | 9 | Bioorg. Med. Chem. Lett., (2011) 21:19:5692 | 2e | Rattus norvegicus | IC50 | =' | 56 | nM | CHEMBL1839319 | B | Inhibition of rat SCD1 in rat liver microsome | |||||||||||
55 | CHEMBL187219 | 1.236 | Estrogen receptor alpha | CHEMBL206 | 9 | J. Med. Chem., (2004) 47:21:5021 | 56 | Homo sapiens | IC50 | =' | 24 | nM | CHEMBL829540 | B | Inhibitory concentration against human ER alpha expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand | |||||||||||
56 | CHEMBL187219 | 1.236 | Estrogen receptor beta | CHEMBL242 | 9 | J. Med. Chem., (2004) 47:21:5021 | 56 | Homo sapiens | IC50 | =' | 20 | nM | CHEMBL829091 | B | Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand | |||||||||||
57 | CHEMBL1330033 | 1.236 | Heat shock protein HSP 90-alpha | CHEMBL3880 | 9 | Unspecified | SID14721757 | Homo sapiens | IC50 | =' | 9385 | nM | CHEMBL1614478 | B | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput screening assay for inhibitors of the Heat Shock Protein 90 (HSP90). (Class of assay: confirmatory) [Related pubchem assays: 1831 (Summary AID.), 1846 (Confirmation screen.), 1789 (Primary screen.)] | |||||||||||
58 | CHEMBL189977 | 1.234 | Tyrosine kinase non-receptor protein 2 | CHEMBL4599 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:19:6212 | 1 | Homo sapiens | Ki | =' | 1000 | nM | CHEMBL2090700 | B | Inhibition of ACK1 | |||||||||||
59 | CHEMBL2205766 | 1.233 | Adaptor-associated kinase | CHEMBL3830 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:14:4613 | 14, CZC24758 | Homo sapiens | IC50 | =' | 5888.44 | nM | CHEMBL2216361 | B | Inhibition of AAK1 | |||||||||||
60 | CHEMBL2205766 | 1.233 | Casein kinase I alpha | CHEMBL2793 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:14:4613 | 14, CZC24758 | Homo sapiens | IC50 | =' | 9120.11 | nM | CHEMBL2211482 | B | Inhibition of CSNK1A1 | |||||||||||
61 | CHEMBL2205766 | 1.233 | Casein kinase I gamma 1 | CHEMBL2426 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:14:4613 | 14, CZC24758 | Homo sapiens | IC50 | =' | 9549.93 | nM | CHEMBL2211485 | B | Inhibition of CSNK1G1 | |||||||||||
62 | CHEMBL2205766 | 1.233 | Phosphatidylinositol-5-phosphate 4-kinase type-2 gamma | CHEMBL1770034 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:14:4613 | 14, CZC24758 | Homo sapiens | IC50 | =' | 1071.52 | nM | CHEMBL2211988 | B | Inhibition of PIP4K2C | |||||||||||
63 | CHEMBL2205766 | 1.233 | Serine/threonine-protein kinase PAK 4 | CHEMBL4482 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:14:4613 | 14, CZC24758 | Homo sapiens | IC50 | =' | 9332.54 | nM | CHEMBL2211976 | B | Inhibition of PAK4 | |||||||||||
64 | CHEMBL2205766 | 1.233 | Tyrosine-protein kinase JAK1 | CHEMBL2835 | 8 | Bioorg. Med. Chem. Lett., (2012) 22:14:4613 | 14, CZC24758 | Homo sapiens | IC50 | =' | 4365.16 | nM | CHEMBL2211513 | B | Inhibition of JAK1 | |||||||||||
65 | CHEMBL3401364 | 1.232 | Fibroblast growth factor receptor 1 | CHEMBL3650 | 9 | Bioorg. Med. Chem. Lett., (2015) 25:7:1556 | C6 | Homo sapiens | IC50 | =' | 4840 | nM | CHEMBL3404248 | B | Inhibition of FGFR1 (unknown origin) after 90 mins by TR-FRET assay | |||||||||||
66 | CHEMBL3401364 | 1.232 | Fibroblast growth factor receptor 2 | CHEMBL4142 | 9 | Bioorg. Med. Chem. Lett., (2015) 25:7:1556 | C6 | Homo sapiens | IC50 | =' | 9130 | nM | CHEMBL3404249 | B | Inhibition of FGFR2 (unknown origin) after 90 mins by TR-FRET assay | |||||||||||
67 | CHEMBL233807 | 1.231 | Metabotropic glutamate receptor 5 | CHEMBL2564 | 9 | Bioorg. Med. Chem. Lett., (2007) 17:16:4415 | 37 | Rattus norvegicus | IC50 | =' | 1090 | nM | CHEMBL898093 | B | Activity at rat mGlu5 receptor expressed in CHO cells assessed as inhibition of quisqualate-stimulated calcium mobilization by FLIPR assay | |||||||||||
68 | CHEMBL462579 | 1.213 | MAP kinase-activated protein kinase 2 | CHEMBL2208 | 9 | Bioorg. Med. Chem. Lett., (2008) 18:23:6142 | 3 | Homo sapiens | IC50 | =' | 1230 | nM | CHEMBL955774 | B | Inhibition of human MK2 | |||||||||||
69 | CHEMBL136974 | 1.213 | Neuropeptide Y receptor type 5 | CHEMBL4561 | 8 | J. Med. Chem., (2000) 43:22:4288 | 89e | Homo sapiens | IC50 | < | 0.1 | nM | CHEMBL857689 | B | Affinity for human neuropeptide Y receptor Y5, binding was evaluated in an in vitro radioligand [125I]PYY binding assay | |||||||||||
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100 |