#ACSSanFran MEDI disclosures (all data CCZero)
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ABCDEFGHIJKLMNOPQRSTUVWXYZAAABACADAEAFAGAHAI
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nameSMILES (incl. chirality, etc)InChIKeyCDKDepict linkChemSpider IDPubChem IDWikidata IDCAS regnoCurrent ownerPatent Activity in patentTarget Target Uniprot IDGtoPdb target linkGtoPdb ligand linkRelevant WikiPathwaysNotes
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GLGP1837CC1(C)CC2=C(C(C)(C)O1)SC(=C2C(=O)N)NC(=O)C3=NNC=C3GHTGYZMBQPXTCQ-UHFFFAOYSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?smi=CC1(C)CC2=C(C(C)(C)O1)SC(=C2C(=O)N)NC(=O)C3=NNC=C3
58828894117857370Q292070831654725-02-6GalapagosWO2015018823 ex 2CTFR modulatorP13569707
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ABBV2222c1cc(ccc1[C@H]2C[C@H](c3ccc(cc3O2)OC(F)F)NC(=O)C4(CC4)c5ccc6c(c5)OC(O6)(F)F)C(=O)OQVDYQHXNAQHIKH-TZIWHRDSSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?smi=C1=C(C=CC(=C1)C(=O)O)C2CC(C3=CC=C(C=C3O2)OC(F)F)NC(=O)C4(CC4)C5=CC=C6C(=C5)OC(F)(F)O6
58828663121301049Q29208499AbvieUS20160120841 ex 122
F508del CFTR cell surface expression
CTFR modulatorP13569707
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BMS-986158Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)nc2KGERZPVQIRYWRK-GDLZYMKVSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=Cc1c(n(nn1)C)c2cc3c(c4ccc(cc4n3[C@H](c5ccccc5)C6CCOCC6)C(C)(C)O)nc2
58828664118196485Q29208626BMSUS20160318928 exs 54&55BRD4 inhibitorO608851945
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PF-06821497Cc1cc(c(c(=O)[nH]1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OCRXCVUHMIWHRLDF-HXUWFJFHSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=Cc1cc(c(c(=O)[nH]1)CN2CCc3c(cc(c(c3C2=O)Cl)[C@@H](C4COC4)OC)Cl)OC
118572065Q29209799PfizerUS20150361067 ex 81IC50 2 nM vs EZH2EZH2 inhibitorQ159102654
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BLU554COc1cc(c(c(c1Cl)c2ccc3c(c2)cnc(n3)N[C@@H]4COCC[C@@H]4NC(=O)C=C)Cl)OCMGZKYOAQVGSSGC-DLBZAZTESA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=COc1cc(c(c(c1Cl)c2ccc3c(c2)cnc(n3)N[C@@H]4COCC[C@@H]4NC(=O)C=C)Cl)OC
5882866691885617Q29209801BlueprintUS20150119405 ex 40FGFR4P224551811PubChem 1st n2s date 2016-12-09 SID: 319884132
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PRN1371CNc1ncc2cc(c(=O)n(c2n1)CCCN3CCN(CC3)C(=O)C=C)c4c(c(cc(c4Cl)OC)OC)ClPUIXMSRTTHLNKI-UHFFFAOYSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=CNc1ncc2cc(c(=O)n(c2n1)CCCN3CCN(CC3)C(=O)C=C)c4c(c(cc(c4Cl)OC)OC)Cl
58828667118295624Q29213602PrincipiaUS20160200725 ex 6IC50 6 nM vs FGR1
FGFR1 (+ paralogues)
P113621808
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FGF401CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)NCCOCBHKDKKZMPODMIQ-UHFFFAOYSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=CN1CCN(C(=O)C1)Cc2cc3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C%23N)NCCOC
58828668118036971Q29213614NovartisUS9533988 ex 83IC50 1.9 nM vs FGFR4FGFR4P113621808BindingDB (PubChem SID 328082420) 144 IC50 mappings
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AMG176C[C@H]1C/C=C/[C@@H]([C@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)OCJQNINBDKGLWYMU-FFSAGZKSSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=C[C@H]1C/C=C/[C@@H]([C@H]2CC[C@H]2CN3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)OC
58828669124222883Q29213624AmgenUS20160068545 ex 4MCL1Q078202847
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PF-06648671Cc1cn(cn1)c2ccc3n(c2=O)CCN(C3=O)[C@@H](C)[C@@H]4CC[C@@H](O4)c5cc(c(cc5C(F)(F)F)Cl)FAKCDDYGYIGPEKL-JQOQJDEVSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=Cc1cn(cn1)c2ccc3n(c2=O)CCN(C3=O)[C@@H](C)[C@@H]4CC[C@@H](O4)c5cc(c(cc5C(F)(F)F)Cl)F
5882867073441910Q29213634PfizerUS9193726 ex 69
IC50 7.84 nM for Ab42 relase
Gamm secretase inhib PSEN1
P497682402
BindingDB (PubChem SID 317230481) 44 IC50 mappings (target not APP but will be revised)
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GSK 3008348Cc1cc(n(n1)c2cccc(c2)[C@H](CC(=O)O)CN3CC[C@@H](C3)CCc4ccc5c(n4)NCCC5)CZMXBIIQMSGOIRZ-WIOPSUGQSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=Cc1cc(n(n1)c2cccc(c2)[C@H](CC(=O)O)CN3CC[C@@H](C3)CCc4ccc5c(n4)NCCC5)C
58828671124222884Q29213645GSK
US20160280705 probably ex 1
antagonist of αvβ6 integrin
P06756760#2867
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AZD9567CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(=O)n(c4)C)NC(=O)C(C)(F)FZQFNDBISEYQVRR-LOSJGSFVSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=CC(C)[C@@H]([C@@H](c1ccccc1)Oc2ccc3c(c2)cnn3c4ccc(=O)n(c4)C)NC(=O)C(C)(F)F
57617761121248172Q29213655AstraZenecaWO2016046260 ex 1Indirecte GRE response
selective GR modulator (SGRM)
P04150625
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PF2562Cc1cc(ccc1c2c(ncnc2C)C)Oc3c4cn[nH]c4ccn3IDIUJOHYYBNCPC-UHFFFAOYSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=Cc1cc(ccc1c2c(ncnc2C)C)Oc3c4cn[nH]c4ccn3
5882867274223726Q29213664PfizerUS8822494 ex 6Ki 113 nM DRD1DRD1P21728214BindingDB (PubChem SID 225156794) 47 Ki mappings
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BLU285C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)NDWYRIWUZIJHQKQ-SANMLTNESA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)N
58828673118023034Q29213676BlueprintUS9200002 ex 44<50 nM vs D816Vmutant KITP107211805
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NVP-LXS196CC1(CCN(CC1)c2cccnc2NC(=O)c3c(ncc(n3)c4c(cccn4)C(F)(F)F)N)NXXJXHXJWQSCNPX-UHFFFAOYSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=CC1(CCN(CC1)c2cccnc2NC(=O)c3c(ncc(n3)c4c(cccn4)C(F)(F)F)N)N
57617794118873253Q29213686NovartisUS9452998 ex 9IC50 0.4 nM vs PRKCQ
PRKCQ inhibitor (and A)
Q047591488
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Selonsertib/GS-4997
Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)FYIDDLAAKOYYGJG-UHFFFAOYSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=Cc1cc(c(cc1n2cc(nc2)C3CC3)C(=O)Nc4cccc(n4)c5nncn5C(C)C)F
4420949771245288Q27088777GileadWO2013112741 ex 1IC50 of 3.0 nM vs ASK1ASK1/MAP3K5 Q9968320809040PubChem 1st n2s date 2015-09-11, SID: 252300234
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BMS986205/FLX287
C[C@@H](C(=O)Nc1ccc(cc1)Cl)[C@H]2CC[C@H](CC2)c3c4c(ncc3)ccc(c4)FKRTIYQIPSAGSBP-ZACQAIPSSA-N
http://cdkdepict-openchem.rhcloud.com/depict/bow/svg?abbr=on&suppressh=true&showtitle=false&zoom=1.3&annotate=none&smi=C[C@@H](C(=O)Nc1ccc(cc1)Cl)[C@H]2CC[C@H](CC2)c3c4c(ncc3)ccc(c4)F
58828674121328278Q29213697BMSUS2016013765 ex 19Data missingIDO inhibitorP149022829FLX287 Acquired by BMS in April 2015
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