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P33527 | MRP1_HUMAN | Multidrug resistance-associated protein 1 (ABCC1)

3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // ABC_tran_1 ]

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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
CHEMBL58 OBDepict HO HN NH O HN O OH OH NH OH IC50 = 27.5 nM 444.49 O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 Homo sapiens CHEMBL4322537 cell-based format
CHEMBL27007 OBDepict F F N N N N N CH 3 H 3 C N IC50 = 33.0 nM 422.48 Cc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C Homo sapiens CHEMBL714115 assay format
CHEMBL27102 OBDepict H 3 C O O H 3 C N H O N N N N N F F IC50 = 43.0 nM 590.68 COc1cccc(CNC(=O)c2c3n(c4c(N5CCN(CCc6ccc(F)c(F)c6)CC5)ncnc24)CCCC3)c1OC Homo sapiens CHEMBL714116 assay format
CHEMBL430724 OBDepict F F N N N N N CH 3 N IC50 = 44.0 nM 408.46 Cn1c2ccncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL26485 OBDepict O HN N N N N N N F F IC50 = 61.0 nM 531.61 O=C(NCc1ccccn1)c1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL26678 OBDepict F F N N N N N H 3 C O NH 2 IC50 = 62.0 nM 450.49 Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL28629 OBDepict F F N N N N N CH 3 N N O IC50 = 71.0 nM 493.56 Cn1c2ccnc(N3CCOCC3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL280981 OBDepict O HN N N N N N N F F IC50 = 76.0 nM 517.58 O=C(Nc1cccnc1)c1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL27191 OBDepict CH 3 O + N O _ O N N H N N N F F IC50 = 78.0 nM 468.46 COc1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1[N+](=O)[O-] Homo sapiens CHEMBL714115 assay format
CHEMBL29743 OBDepict _ O + N O N N N N N N F F IC50 = 80.0 nM 529.55 O=[N+]([O-])c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2Cc1ccncc1 Homo sapiens CHEMBL714115 assay format
CHEMBL26686 OBDepict Cl N N H 3 C N N N N F F IC50 = 87.0 nM 442.9 Cn1c2cc(Cl)ncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714751 assay format
CHEMBL26779 OBDepict H 2 N O + N O _ O H 3 C N N N CH 3 N N N F F IC50 = 88.0 nM 510.51 Cc1nc2c(c(C(N)=O)c1[N+](=O)[O-])c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C Homo sapiens CHEMBL714115 assay format
CHEMBL418382 OBDepict F F N N N N N CH 3 N Cl N O IC50 = 90.0 nM 542.03 Cn1c2ccnc(Cl)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL281496 OBDepict H 2 N O N N N CH 3 N N N N O F F IC50 = 97.0 nM 550.61 Cn1c2nccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL26635 OBDepict N N N N N N N F F IC50 = 105.0 nM 499.57 N#Cc1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)nc(-c4ccncc4)nc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL281326 OBDepict F F N N N N N CH 3 N HN N IC50 = 106.0 nM 514.58 Cn1c2ccnc(NCc3ccccn3)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL25903 OBDepict F F N N N N N H 3 C N O NH 2 IC50 = 110.0 nM 451.48 Cn1c2nccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL27257 OBDepict H 3 C O O N N H N N N F F IC50 = 113.0 nM 451.48 COC(=O)c1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1 Homo sapiens CHEMBL714115 assay format
CHEMBL25731 OBDepict CH 3 HN N N N CH 3 N N N F F IC50 = 115.0 nM 437.5 CNc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C Homo sapiens CHEMBL714115 assay format
CHEMBL284024 OBDepict _ O + N O N + N H O _ O N N N N N O F F IC50 = 118.0 nM 582.57 O=[N+]([O-])c1cc([N+](=O)[O-])c2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)nc(CN4CCOCC4)nc3c2c1 Homo sapiens CHEMBL714115 assay format
CHEMBL286272 OBDepict H 3 C NH O N N N N N F F IC50 = 120.0 nM 468.55 CCNC(=O)c1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL197824 OBDepict H 3 C O O N N N N O NH 2 N F F IC50 = 122.0 nM 522.56 CCOC(=O)Cn1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL4351165 cell-based format
CHEMBL27536 OBDepict H 3 C O N O N N N O H 2 N N F F IC50 = 122.0 nM 508.53 CCOC(=O)n1c2cccc(C(N)=O)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL27415 OBDepict F F N N N N N H 3 C Cl N IC50 = 130.0 nM 442.9 Cn1c2ccnc(Cl)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL25867 OBDepict _ O + N O N N H N N N F F IC50 = 133.0 nM 438.44 O=[N+]([O-])c1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1 Homo sapiens CHEMBL714115 assay format
CHEMBL26599 OBDepict H 2 N O N N N N N F F IC50 = 138.0 nM 440.5 NC(=O)c1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL26039 OBDepict H 3 C O O N N N N + N N O _ O F F IC50 = 138.0 nM 524.53 CCOC(=O)Cn1c2ccc([N+](=O)[O-])cc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL30052 OBDepict F F N N N N N H 3 C + N O _ O IC50 = 147.0 nM 452.47 Cn1c2cccc([N+](=O)[O-])c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL26150 OBDepict F F N N N N N H 3 C N N H 3 C CH 3 IC50 = 166.0 nM 451.53 CN(C)c1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C Homo sapiens CHEMBL714115 assay format
CHEMBL284676 OBDepict CH 3 O N N N CH 3 N N N F F IC50 = 172.0 nM 438.48 COc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C Homo sapiens CHEMBL714115 assay format
CHEMBL282156 OBDepict F F N N N N N H + N O _ O IC50 = 183.0 nM 438.44 O=[N+]([O-])c1cccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c12 Homo sapiens CHEMBL714115 assay format
CHEMBL283438 OBDepict F F N N N N N H O H 2 N IC50 = 183.0 nM 436.47 NC(=O)c1cccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c12 Homo sapiens CHEMBL714115 assay format
CHEMBL388590 OBDepict CH 3 O O Br Br HO Ki = 190.0 nM 424.09 CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 Homo sapiens CHEMBL1815640 cell-based format
CHEMBL28168 OBDepict N H 3 C N N N CH 3 N N N F F IC50 = 190.0 nM 447.49 Cc1cc(C#N)c2c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c3n(C)c2n1 Homo sapiens CHEMBL714751 assay format
CHEMBL3805805 OBDepict N N N N N N IC50 = 200.0 nM 372.48 N#Cc1cn(C2CC2)c2c(N3CCN(CCc4ccccc4)CC3)ncnc12 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL282819 OBDepict N N N N N N N F F IC50 = 218.0 nM 499.57 N#Cc1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)nc(-c4cccnc4)nc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL285343 OBDepict _ O + N O N N N N N F F IC50 = 222.0 nM 542.59 O=[N+]([O-])c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2CCc1ccccc1 Homo sapiens CHEMBL714115 assay format
CHEMBL287400 OBDepict H 3 C N N O H 2 N CH 3 N N N N F F IC50 = 223.0 nM 465.51 Cc1cc(C(N)=O)c2c3ncnc(N4CCN(CCc5ccc(F)c(F)c5)CC4)c3n(C)c2n1 Homo sapiens CHEMBL714115 assay format
CHEMBL26795 OBDepict N N N N N N F F IC50 = 229.0 nM 422.48 N#Cc1c2n(c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL439727 OBDepict H 2 N O N N CH 3 N N N N O F F IC50 = 230.0 nM 549.63 Cn1c2cccc(C(N)=O)c2c2nc(CN3CCOCC3)nc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL27128 OBDepict H N N N N N S N O O F F IC50 = 235.0 nM 526.61 O=S(=O)(c1ccc2nc3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)[nH]cnc-3c2c1)N1CCCC1 Homo sapiens CHEMBL714115 assay format
CHEMBL25905 OBDepict CH 3 O N N N N CH 3 Cl N N F F IC50 = 244.0 nM 486.95 COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2c(n1)c1c(Cl)nccc1n2C Homo sapiens CHEMBL714115 assay format
CHEMBL199064 OBDepict F F N N N N N H 3 C N O NH 2 CH 3 IC50 < 250.0 nM 465.51 Cc1cnc2c(c1C(N)=O)c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C Homo sapiens CHEMBL880248 single protein format
CHEMBL195949 OBDepict H 2 N O H 3 C N N N + N CH 3 O _ O N N N F F IC50 < 250.0 nM 510.51 Cc1c([N+](=O)[O-])nc2c(c1C(N)=O)c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C Homo sapiens CHEMBL880248 single protein format
CHEMBL283253 OBDepict H 3 C O CH 3 N N N CH 3 N N N F F IC50 = 265.0 nM 466.54 CC(C)Oc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C Homo sapiens CHEMBL714115 assay format
CHEMBL282365 OBDepict F F N N N N N CH 3 N IC50 = 270.0 nM 408.46 Cn1c2cccnc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL283255 OBDepict H 2 N O N N N N N N F F IC50 = 270.0 nM 527.58 NC(=O)c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2Cc1ccncc1 Homo sapiens CHEMBL714115 assay format
CHEMBL430925 OBDepict N N N N N H N F F IC50 = 277.0 nM 418.45 N#Cc1cccc2nc3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)[nH]cnc-3c12 Homo sapiens CHEMBL714115 assay format
CHEMBL3582149 OBDepict CH 3 O O O H 3 C H H O O O O CH 3 O H 3 C H 3 C O O CH 3 O CH 3 CH 3 IC50 = 322.0 nM 596.63 COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)C2 Homo sapiens CHEMBL3584583 cell-based format
CHEMBL4468057 OBDepict N N N N N N O O IC50 = 322.0 nM 416.49 N#Cc1c2n(c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL4351167 cell-based format
CHEMBL3805902 OBDepict N N N N N N IC50 = 340.0 nM 408.51 N#Cc1cn(-c2ccccc2)c2c(N3CCN(CCc4ccccc4)CC3)ncnc12 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL286948 OBDepict N N N N CH 3 N N N F F IC50 = 355.0 nM 433.47 Cn1c2nccc(C#N)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21 Homo sapiens CHEMBL714115 assay format
CHEMBL28584 OBDepict H N N N N N Cl F F IC50 = 367.0 nM 427.89 Fc1ccc(CCN2CCN(c3[nH]cnc4c5c(Cl)cccc5nc3-4)CC2)cc1F Homo sapiens CHEMBL714115 assay format
CHEMBL282610 OBDepict N N N N N N Cl IC50 = 399.0 nM 420.95 N#Cc1c2n(c3c(N4CCN(CCc5ccc(Cl)cc5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL27172 OBDepict N N N N N N + N O _ O IC50 = 410.0 nM 431.5 N#Cc1c2n(c3c(N4CCN(CCc5cccc([N+](=O)[O-])c5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL3805049 OBDepict H 3 C N N N N N N IC50 = 418.0 nM 374.49 CCCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c21 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL27171 OBDepict N N N N N N + N O _ O IC50 = 523.0 nM 431.5 N#Cc1c2n(c3c(N4CCN(CCc5ccc([N+](=O)[O-])cc5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL26892 OBDepict H 3 C S H 3 C N N N N N N IC50 = 533.0 nM 472.66 Cc1nc(-c2c3n(c4c(N5CCN(CCc6ccccc6)CC5)ncnc24)CCCC3)sc1C Homo sapiens CHEMBL714116 assay format
CHEMBL26081 OBDepict F F N N N N N N IC50 = 545.0 nM 484.55 Fc1ccc(CCN2CCN(c3ncnc4c5cnccc5n(Cc5ccccc5)c34)CC2)cc1F Homo sapiens CHEMBL714115 assay format
CHEMBL283835 OBDepict N N N N N N HN O H 3 C IC50 = 570.0 nM 519.65 CC(=O)Nc1ccc(-c2nc(N3CCN(CCc4ccccc4)CC3)c3c(n2)c(C#N)c2n3CCCC2)cc1 Homo sapiens CHEMBL714116 assay format
CHEMBL3806254 OBDepict N N N N N N IC50 = 586.0 nM 450.59 N#Cc1cn(CCCc2ccccc2)c2c(N3CCN(CCc4ccccc4)CC3)ncnc12 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL15177 OBDepict OH O S S N O H 3 C CH 3 N Cl Ki = 600.0 nM 515.1 CN(C)C(=O)CCSC(SCCC(=O)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 Homo sapiens CHEMBL1035255 cell-based format
CHEMBL27861 OBDepict N N N N N N N H IC50 = 600.0 nM 425.54 N#Cc1c2n(c3c(N4CCN(CCc5c[nH]c6ccccc56)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL27709 OBDepict N N N N N CH 3 N F F IC50 = 620.0 nM 512.61 Cc1ccccc1-c1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2c(n1)c(C#N)c1n2CCCC1 Homo sapiens CHEMBL714116 assay format
CHEMBL29631 OBDepict _ O + N O N N N N N N F F IC50 = 621.0 nM 529.55 O=[N+]([O-])c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2Cc1cccnc1 Homo sapiens CHEMBL714115 assay format
CHEMBL3805055 OBDepict N N N N N N IC50 = 623.0 nM 422.54 N#Cc1cn(Cc2ccccc2)c2c(N3CCN(CCc4ccccc4)CC3)ncnc12 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL26369 OBDepict F F N N N N N H CH 3 IC50 = 632.0 nM 407.47 Cc1cccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c12 Homo sapiens CHEMBL714751 assay format
CHEMBL3805746 OBDepict N N N N N N IC50 = 636.0 nM 372.48 N#Cc1c2n(c3c(N4CCN(Cc5ccccc5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL3805731 OBDepict N N N N N N IC50 = 643.0 nM 524.76 N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(N3CCN(CCc4ccccc4)CC3)ncnc12 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL281235 OBDepict H N N N N N NH O N F F IC50 = 650.0 nM 513.55 O=C(Nc1ccncc1)c1cccc2nc3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)[nH]cnc-3c12 Homo sapiens CHEMBL714115 assay format
CHEMBL285576 OBDepict CH 3 O N N N N N N N IC50 = 650.0 nM 443.56 Cc1nc(-c2c3n(c4c(N5CCN(CCc6ccccc6)CC5)ncnc24)CCCC3)no1 Homo sapiens CHEMBL714116 assay format
CHEMBL1813579 OBDepict CH 3 N H H 3 C HN O N N H O N H N Ki = 660.0 nM 414.47 CC1=C(C(=O)Nc2ccccn2)C(c2ccc[nH]2)C(C(=O)Nc2ccccn2)=C(C)N1 Homo sapiens CHEMBL1815640 cell-based format
CHEMBL283693 OBDepict _ O + N O N N H N N N N O F F IC50 = 672.0 nM 537.57 O=[N+]([O-])c1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)nc(CN4CCOCC4)nc3c2c1 Homo sapiens CHEMBL714115 assay format
CHEMBL282592 OBDepict N N N N N N N IC50 = 675.0 nM 439.57 c1ccc(CCN2CCN(c3ncnc4c(-c5ncccn5)c5n(c34)CCCC5)CC2)cc1 Homo sapiens CHEMBL714116 assay format
CHEMBL28098 OBDepict N N N N N N IC50 = 690.0 nM 386.5 N#Cc1c2n(c3c(N4CCN(CCc5ccccc5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL3805352 OBDepict N N N H 3 C N N N IC50 = 700.0 nM 346.44 Cn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c21 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL25972 OBDepict F F N N N N N H NH 2 IC50 = 708.0 nM 408.46 Nc1cccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c12 Homo sapiens CHEMBL714751 assay format
CHEMBL27497 OBDepict N N N N N N IC50 = 715.0 nM 462.6 N#Cc1c2n(c3c(N4CCN(CCc5ccccc5)CC4)nc(-c4ccccc4)nc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL4848125 OBDepict N N N O CH 3 O N N H 3 C H 3 C IC50 = 764.0 nM 391.48 COc1ccc2ncc(C#N)c(N3CCC(Cc4nc(C(C)C)no4)CC3)c2c1 Homo sapiens CHEMBL4825881 cell-based format
CHEMBL3805878 OBDepict H 3 C N N N N N N IC50 = 789.0 nM 360.46 CCn1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c21 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL431503 OBDepict CH 3 O N N H N N N F F IC50 = 820.0 nM 423.47 COc1ccc2[nH]c3c(N4CCN(CCc5ccc(F)c(F)c5)CC4)ncnc3c2c1 Homo sapiens CHEMBL714115 assay format
CHEMBL3806249 OBDepict N N N H 3 C CH 3 N N N IC50 = 821.0 nM 374.49 CC(C)n1cc(C#N)c2ncnc(N3CCN(CCc4ccccc4)CC3)c21 Homo sapiens CHEMBL3807535 cell-based format
CHEMBL3806106 OBDepict N N N N N N IC50 = 866.0 nM 394.48 N#Cc1cn(-c2ccccc2)c2c(N3CCN(Cc4ccccc4)CC3)ncnc12 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL3806273 OBDepict N N N N N N IC50 = 876.0 nM 408.51 N#Cc1cn(Cc2ccccc2)c2c(N3CCN(Cc4ccccc4)CC3)ncnc12 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL27823 OBDepict N N N I N N N IC50 = 887.0 nM 512.4 N#Cc1c2n(c3c(N4CCN(CCc5ccccc5)CC4)nc(I)nc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL281252 OBDepict CH 3 O O N N N N N IC50 = 910.0 nM 419.53 COC(=O)c1c2n(c3c(N4CCN(CCc5ccccc5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL28061 OBDepict N N N N N N Cl IC50 = 920.0 nM 420.95 N#Cc1c2n(c3c(N4CCN(CCc5cccc(Cl)c5)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL562021 OBDepict CH 3 N N H S H 3 C S O HO IC50 = 932.0 nM 308.43 CCN(CC)C(=S)Nc1sc2ccccc2c1C(=O)O Homo sapiens CHEMBL1034443 cell-based format
CHEMBL1770422 OBDepict CH 3 N H H 3 C HN O O N H O Ki = 950.0 nM 413.48 CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 Homo sapiens CHEMBL1815640 cell-based format
CHEMBL27517 OBDepict N N N N N N Cl IC50 = 955.0 nM 420.95 N#Cc1c2n(c3c(N4CCN(CCc5ccccc5Cl)CC4)ncnc13)CCCC2 Homo sapiens CHEMBL714116 assay format
CHEMBL3805970 OBDepict N N N N N N IC50 = 981.0 nM 510.73 N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(N3CCN(Cc4ccccc4)CC3)ncnc12 Homo sapiens CHEMBL3807536 cell-based format
CHEMBL3805076 OBDepict N N N N N N IC50 = 983.0 nM 422.54 N#Cc1cn(CCc2ccccc2)c2c(N3CCN(Cc4ccccc4)CC3)ncnc12 Homo sapiens CHEMBL3807536 cell-based format