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P40763 | STAT3_HUMAN | Signal transducer and activator of transcription 3 (STAT3)

3D structures mapped by conservation among orthologs

[ Domain: "EF-hand" // STAT_bind_C ]

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[ Domain: "Common fold of diphtheria toxin/transcription factors/cytochrome f" // STAT_bind_N ]

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[ Domain: "SH2" // SH2 ]

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[ Domain: "STAT" // STAT_alpha ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1774964 OBDepict CH 3 H 3 C N H H N O O H H HN O H H 3 C NH O O NH 2 P O HO OH Ki = 39.0 nM 565.56 C/C(=CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O)c1ccc(OP(=O)(O)O)cc1 Homo sapiens CHEMBL1777216 single protein format
CHEMBL1774967 OBDepict CH 3 N H H N O O H H N H O H H 3 C N H O O NH 2 P O HO OH Ki = 46.0 nM 565.56 CCCC[C@H](NC(=O)/C=C(C)c1ccc(OP(=O)(O)O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCNC(N)=O Homo sapiens CHEMBL1777216 single protein format
CHEMBL1774965 OBDepict CH 3 N H H N O O H H N H O H H 3 C H 3 C H O O NH 2 P O HO OH Ki = 66.0 nM 578.6 CCCC[C@H](NC(=O)/C=C(C)c1ccc(OP(=O)(O)O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O Homo sapiens CHEMBL1777216 single protein format
CHEMBL583728 OBDepict H 3 C CH 3 N H H N O O H H N H O H O O P O HO OH IC50 = 69.0 nM 599.62 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOCc1ccccc1 Homo sapiens CHEMBL1056178 single protein format
CHEMBL1231124 OBDepict F N N NH H 3 C H N N N H Cl N H N H 3 C IC50 = 80.0 nM 348.77 Cc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)ncc2Cl)[nH]n1 Homo sapiens CHEMBL1656965 cell-based format
CHEMBL1774962 OBDepict CH 3 H 3 C N H H N O O H H HN O H H 3 C CH 3 H O O NH 2 P O HO OH Ki = 83.0 nM 578.6 C/C(=CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O)c1ccc(OP(=O)(O)O)cc1 Homo sapiens CHEMBL1777216 single protein format
CHEMBL1774961 OBDepict CH 3 H 3 C N H H N O O H HN O CH 3 NH O O NH 2 P O OH HO Ki = 94.0 nM 553.55 C/C(=CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCCNC(N)=O)c1ccc(OP(=O)(O)O)cc1 Homo sapiens CHEMBL1777216 single protein format
CHEMBL2380760 OBDepict O S OH O O O NH 2 IC50 = 98.0 nM 303.3 NS(=O)(=O)c1cccc2c1C(=O)c1cccc(O)c1C2=O Homo sapiens CHEMBL4816214 cell-based format
CHEMBL1774968 OBDepict NH 2 O N H H 3 C H O H N O H N H O CH 3 O P O OH OH Ki = 105.0 nM 584.57 C/C(=CC(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)N[C@H](C)CCC(N)=O)C3)c1ccc(OP(=O)(O)O)cc1 Homo sapiens CHEMBL1777216 single protein format
CHEMBL578635 OBDepict H 3 C CH 3 N H H N O O H N H O H 3 C H O O H 2 N P O OH OH IC50 = 110.0 nM 552.57 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCC(N)=O Homo sapiens CHEMBL1056178 single protein format
CHEMBL1774966 OBDepict CH 3 N H H N O O H H N H O H H 3 C O O O NH 2 P O HO OH Ki = 114.0 nM 566.55 CCCC[C@H](NC(=O)/C=C(C)c1ccc(OP(=O)(O)O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOC(N)=O Homo sapiens CHEMBL1777216 single protein format
CHEMBL4846651 OBDepict CH 3 O N H CH 3 H O S N S N H O O CH 3 CH 3 O CH 3 IC50 = 120.0 nM 551.69 COc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NC(=O)c4ccc(OC)c(C)c4OC)cc3s2)cc1 Homo sapiens CHEMBL4816214 cell-based format
CHEMBL574636 OBDepict H 3 C CH 3 N H H N O O H NH O N H O O H 2 N P O OH OH IC50 = 131.0 nM 539.53 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCNC(N)=O Homo sapiens CHEMBL1056178 single protein format
CHEMBL1774959 OBDepict CH 3 H 3 C N H H N O O H HN O CH 3 CH 3 H O O NH 2 P O OH HO Ki = 144.0 nM 566.59 C/C(=CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCC(N)=O)c1ccc(OP(=O)(O)O)cc1 Homo sapiens CHEMBL1777216 single protein format
CHEMBL4850444 OBDepict CH 3 O CH 3 CH 3 O CH 3 N H O S N S N H O CH 3 H OH IC50 = 150.0 nM 593.77 CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4cccc(O)c4)sc3c2)c(OC)c1C Homo sapiens CHEMBL4816214 cell-based format
CHEMBL4864495 OBDepict CH 3 O CH 3 CH 3 O CH 3 N H O S N S N H O CH 3 H IC50 = 160.0 nM 577.77 CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(OC)c1C Homo sapiens CHEMBL4816214 cell-based format
CHEMBL4870012 OBDepict CH 3 O CH 3 CH 3 O CH 3 N H O S N S N H O CH 3 H OH IC50 = 170.0 nM 593.77 CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4O)sc3c2)c(OC)c1C Homo sapiens CHEMBL4816214 cell-based format
CHEMBL576784 OBDepict H 3 C CH 3 N H H N O O H H N H O H H 3 C H O O NH 2 P O HO OH IC50 = 175.0 nM 564.58 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O Homo sapiens CHEMBL1056178 single protein format
CHEMBL1774969 OBDepict NH 2 O O N H O H N O H N H O CH 3 O P O OH OH Ki = 188.0 nM 572.51 C/C(=CC(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)NCCOC(N)=O)C3)c1ccc(OP(=O)(O)O)cc1 Homo sapiens CHEMBL1777216 single protein format
CHEMBL1774963 OBDepict CH 3 H 3 C N H H N O O H H HN O H H 3 C O O O NH 2 P O HO OH Ki = 193.0 nM 566.55 C/C(=CC(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCOC(N)=O)c1ccc(OP(=O)(O)O)cc1 Homo sapiens CHEMBL1777216 single protein format
CHEMBL4845781 OBDepict CH 3 O N H CH 3 H O S S N N H O O CH 3 CH 3 O CH 3 H 3 C IC50 = 200.0 nM 593.77 COc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NC(=O)c4ccc(OCC(C)C)c(C)c4OC)cc3s2)cc1 Homo sapiens CHEMBL4816214 cell-based format
CHEMBL3600757 OBDepict CH 3 O S NH O O F N IC50 = 200.0 nM 382.42 COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C#N)c(F)c2)cc1 Homo sapiens CHEMBL3602459 cell-based format
CHEMBL4864939 OBDepict CH 3 O CH 3 CH 3 O CH 3 N H O S N S N H O CH 3 H HO IC50 = 200.0 nM 593.77 CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccc(O)cc4)sc3c2)c(OC)c1C Homo sapiens CHEMBL4816214 cell-based format
CHEMBL1774960 OBDepict CH 3 H 3 C N H H N O O H HN O CH 3 O O O NH 2 P O OH HO Ki = 203.0 nM 554.54 C/C(=CC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCCOC(N)=O)c1ccc(OP(=O)(O)O)cc1 Homo sapiens CHEMBL1777216 single protein format
CHEMBL4853904 OBDepict CH 3 O CH 3 N H O O H 3 C CH 3 S N S N H O CH 3 H O CH 3 IC50 = 220.0 nM 579.74 COc1ccc([C@H](C)NC(=O)CSc2nc3ccc(NC(=O)c4ccc(OC(C)C)c(C)c4OC)cc3s2)cc1 Homo sapiens CHEMBL4816214 cell-based format
CHEMBL4860361 OBDepict O N H S Cl O O NH 2 O O CH 3 H 3 C CH 3 IC50 = 230.0 nM 410.88 CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1 Homo sapiens CHEMBL4812075 cell-based format
CHEMBL449511 OBDepict H 2 N O NH H O NH 2 O H N O H N H O O P O OH HO IC50 = 233.0 nM 599.54 NC(=O)CC[C@H](NC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)CC3)C(N)=O Homo sapiens CHEMBL962551 single protein format
CHEMBL4740393 OBDepict CH 2 N S N N HN O N Cl N CH 3 OH IC50 = 250.0 nM 569.09 C=CCn1c(SCC(=O)Nc2ccc(/C(C)=NO)cc2)nnc1-c1cc(-c2ccc(Cl)cc2)nc2ccccc12 Homo sapiens CHEMBL4722688 single protein format
CHEMBL1448 OBDepict Cl HO N H O Cl + N O _ O IC50 = 250.0 nM 327.12 O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O Homo sapiens CHEMBL1696939 cell-based format
CHEMBL4860381 OBDepict CH 3 O O CH 3 O CH 3 N H O S N S N H O CH 3 H O H 3 C IC50 = 260.0 nM 595.74 COCCOc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccc(OC)cc4)sc3c2)c(OC)c1C Homo sapiens CHEMBL4816214 cell-based format
CHEMBL207155 OBDepict H N N N N H IC50 = 280.0 nM 462.56 C1=Cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1nc(cc3ccc([nH]3)c2-c2ccccc2)C=C1 Homo sapiens CHEMBL2175177 single protein format
CHEMBL577143 OBDepict H 3 C CH 3 N H H N O O H H N H O H O O NH 2 P O HO OH IC50 = 303.0 nM 550.55 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)NCCCC(N)=O Homo sapiens CHEMBL1056178 single protein format
CHEMBL4747318 OBDepict H 2 C N S N N NH O N N H 3 C HO IC50 = 320.0 nM 534.65 C=CCn1c(SCC(=O)Nc2ccc(/C(C)=NO)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 Homo sapiens CHEMBL4722688 single protein format
CHEMBL3600853 OBDepict CH 3 O S N O O O CH 3 N IC50 = 320.0 nM 406.46 COc1ccc(S(=O)(=O)N(C(C)=O)c2ccccc2-c2ccc(C#N)cc2)cc1 Homo sapiens CHEMBL3602459 cell-based format
CHEMBL576590 OBDepict H 3 C CH 3 N H H N O O H NH O O O O H 2 N P O OH OH IC50 = 360.0 nM 540.51 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCOC(N)=O Homo sapiens CHEMBL1056178 single protein format
CHEMBL1774970 OBDepict NH 2 N H O N H O H N O H N H O CH 3 O P O OH OH Ki = 386.0 nM 571.53 C/C(=CC(=O)N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)NCCNC(N)=O)C3)c1ccc(OP(=O)(O)O)cc1 Homo sapiens CHEMBL1777216 single protein format
CHEMBL583725 OBDepict H 3 C CH 3 N H H N O O H H N H O H H HO CH 3 H O O H 2 N P O HO OH IC50 = 437.0 nM 594.6 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)[C@@H](C)O Homo sapiens CHEMBL1056178 single protein format
CHEMBL4096680 OBDepict O N H O S N O O NH 2 N H Ki = 440.0 nM 412.47 NS(=O)(=O)c1cccc2c1C(=O)C=C(Nc1ccccc1N1CCNCC1)C2=O Homo sapiens CHEMBL4010006 single protein format
CHEMBL3600746 OBDepict CH 3 O S NH O O N IC50 = 440.0 nM 364.43 COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C#N)cc2)cc1 Homo sapiens CHEMBL3602459 cell-based format
CHEMBL4873424 OBDepict CH 3 O CH 3 CH 3 CH 3 N H O S N S N H O CH 3 H IC50 = 460.0 nM 561.77 CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(C)c1C Homo sapiens CHEMBL4816214 cell-based format
CHEMBL3628244 OBDepict H 3 C H 3 C O O O O H O H 3 C O O H CH 3 H 3 C O CH 3 CH 3 IC50 = 500.0 nM 474.55 C/C=C(C)C(=O)OCC1=C2/C(=C[C@@]3(C)CC[C@](OC)(O3)[C@H](C)C[C@@H]2OC(=O)/C(C)=C/C)OC1=O Homo sapiens CHEMBL3632020 cell-based format
CHEMBL3628243 OBDepict CH 3 H 3 C O O O O H O H 3 C O O H CH 3 H 3 C OH CH 3 IC50 = 500.0 nM 460.52 C/C=C(C)C(=O)OCC1=C2/C(=C[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2OC(=O)/C(C)=C/C)OC1=O Homo sapiens CHEMBL3632020 cell-based format
CHEMBL3628241 OBDepict O O O O H OH CH 3 O H CH 3 OH IC50 = 500.0 nM 428.48 C[C@@H]1C[C@H](O)C2=C(COC(=O)CCc3ccccc3)C(=O)O/C2=C/[C@@]2(C)CC[C@]1(O)O2 Homo sapiens CHEMBL3632020 cell-based format
CHEMBL3628038 OBDepict CH 3 O O H 3 C CH 3 O O H OH CH 3 O H CH 3 HO IC50 = 500.0 nM 448.56 CC(C)=CCCC(C)CC(=O)OCC1=C2/C(=C[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O Homo sapiens CHEMBL3632020 cell-based format
CHEMBL3628036 OBDepict CH 3 O O H 3 C CH 3 O O H OH CH 3 O H CH 3 HO IC50 = 500.0 nM 446.54 CC(C)=CCC/C(C)=C/C(=O)OCC1=C2/C(=C[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2O)OC1=O Homo sapiens CHEMBL3632020 cell-based format
CHEMBL573930 OBDepict H 3 C CH 3 N H H N O O H H N H O H H H 3 C CH 3 O O H 2 N P O HO OH IC50 = 511.0 nM 592.63 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)C(C)C Homo sapiens CHEMBL1056178 single protein format
CHEMBL573048 OBDepict H 3 C CH 3 N H H N O O H NH O O O H 2 N P O OH OH IC50 = 574.0 nM 538.54 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1CCC[C@H]1C(=O)NCCCC(N)=O Homo sapiens CHEMBL1056178 single protein format
CHEMBL515762 OBDepict O N H H O N H N O O P O OH OH O NH 2 IC50 = 595.0 nM 568.52 NC(=O)C1CCN(C(=O)[C@@H]2Cc3cccc4c3N2C(=O)[C@@H](NC(=O)/C=C/c2ccc(OP(=O)(O)O)cc2)CC4)C1 Homo sapiens CHEMBL962551 single protein format
CHEMBL4748862 OBDepict H 3 C HN O H O OH O P O OH HO IC50 = 610.0 nM 303.21 CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)O Homo sapiens CHEMBL4726113 assay format
CHEMBL4445234 OBDepict OH N NH O H N H O F F F IC50 = 640.0 nM 479.46 O=C1C(N[C@H](Cc2ccccc2)C(=O)Nc2ccc(C(F)(F)F)cc2)=C/C(=N/O)c2ccccc21 Homo sapiens CHEMBL4381970 cell-based format
CHEMBL4746255 OBDepict O N H N S + N F F F O _ O IC50 = 700.0 nM 317.25 O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 Homo sapiens CHEMBL4714882 cell-based format
CHEMBL4850967 OBDepict H 3 C O O N H CH 3 O CH 3 O S Cl O O H 2 N IC50 = 720.0 nM 400.84 COc1cc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc(OC)c1OC Homo sapiens CHEMBL4812075 cell-based format
CHEMBL4294523 OBDepict CH 3 N H O Br O Cl Cl Ki = 740.0 nM 413.1 CNc1ccc(Br)cc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1=O Homo sapiens CHEMBL4275322 assay format
CHEMBL584376 OBDepict H 3 C CH 3 N H H N O O H N H O H 3 C H O O O H 2 N P O OH OH IC50 = 797.0 nM 554.54 CC(C)C[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)COC(N)=O Homo sapiens CHEMBL1056178 single protein format
CHEMBL4752864 OBDepict O N H N S Cl Cl + N O _ O IC50 = 800.0 nM 318.14 O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL4714882 cell-based format
CHEMBL522887 OBDepict CH 3 N H N H N H 3 C CH 3 N N CH 3 CH 3 H 3 C IC50 = 800.0 nM 309.42 CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)cc(C)c3n2)N1 Homo sapiens CHEMBL3387771 cell-based format
CHEMBL475488 OBDepict OH O NH O H N O H N H O O P O OH HO IC50 = 815.0 nM 557.5 O=C(O)CCCNC(=O)[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)CC3 Homo sapiens CHEMBL962551 single protein format
CHEMBL4846078 OBDepict CH 3 O O O O IC50 = 840.0 nM 242.23 CC(=O)C1=CC2C(=O)c3ccccc3C(=O)C2O1 Homo sapiens CHEMBL4816214 cell-based format
CHEMBL4869871 OBDepict CH 3 O CH 3 H CH 3 N H O S N S N H O CH 3 H IC50 = 900.0 nM 547.75 CCC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)cc1C Homo sapiens CHEMBL4816214 cell-based format
CHEMBL4875020 OBDepict O N H S O O NH 2 O O CH 3 H 3 C CH 3 IC50 = 920.0 nM 376.43 CC(C)(C)OC(=O)c1ccc(NC(=O)c2cccc(S(N)(=O)=O)c2)cc1 Homo sapiens CHEMBL4812075 cell-based format
CHEMBL4879356 OBDepict CH 3 O CH 3 CH 3 N H O S N S N H O CH 3 H IC50 = 950.0 nM 547.75 CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)cc1C Homo sapiens CHEMBL4816214 cell-based format
CHEMBL4462450 OBDepict OH N NH O H N H O F F F IC50 = 990.0 nM 479.46 O=C1C(N[C@H](Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)=C/C(=N/O)c2ccccc21 Homo sapiens CHEMBL4381970 cell-based format
CHEMBL64130 OBDepict CH 3 O O O O IC50 < 1000.0 nM 240.21 CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O Homo sapiens CHEMBL4617593 cell-based format
CHEMBL4635140 OBDepict O O O OH CH 3 H IC50 < 1000.0 nM 242.23 C[C@H](O)c1cc2c(o1)C(=O)c1ccccc1C2=O Homo sapiens CHEMBL4617593 cell-based format