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P51679 | CCR4_HUMAN | C-C chemokine receptor type 4 (CCR4)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL2178575 OBDepict OH N H O N N HN S O O O S Cl H 3 C Ki = 10.0 nM 506.99 COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(NC(=O)CO)c1 Homo sapiens CHEMBL2184880 single protein format
CHEMBL377421 OBDepict F F F N N S N H IC50 = 14.0 nM 509.64 FC(F)(F)c1ccccc1CN(Cc1csc(Nc2cccc3ccccc23)n1)CC1CCCCC1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL207642 OBDepict N N S N H IC50 = 18.0 nM 447.69 c1ccc2c(Nc3nc(CN(CC4CCCCC4)CC4CCCCC4)cs3)cccc2c1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL233046 OBDepict Cl Cl NH N N N N N O H NH IC50 = 20.0 nM 500.43 O=C([C@@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1 Homo sapiens CHEMBL890042 cell-based format
CHEMBL598070 OBDepict CH 3 N N O O CH 3 OH HO IC50 = 21.2 nM 290.32 Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL4642563 OBDepict HO N H N N N N N CH 3 H O H 2 N Cl Cl IC50 = 36.0 nM 518.45 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(N)=O)c2ncc(N3CC([C@H]4CCCN(CCO)C4)C3)nc21 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL205279 OBDepict H 3 C N N H S N H 3 C H 3 C CH 3 IC50 = 37.0 nM 285.42 Cn1ccc2c(Nc3nc(C(C)(C)C)cs3)cccc21 Homo sapiens CHEMBL870148 cell-based format
CHEMBL4641127 OBDepict H 3 C N H O N H N N N N N CH 3 H 3 C H Cl Cl IC50 = 40.0 nM 530.5 CC(=O)NCCN1CCC[C@H](C2CN(c3cnc4c(C)nn([C@H](C)c5ccc(Cl)cc5Cl)c4n3)C2)C1 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL4475665 OBDepict N N N N N CH 3 H Cl Cl H CH 3 H N H CH 3 IC50 = 44.0 nM 495.46 C[C@@H]1CC(c2cnc3c(C#N)nn([C@H](C)c4ccc(Cl)cc4Cl)c3n2)=CC[C@@H]1N1CCC[C@H]1C Homo sapiens CHEMBL4367190 cell-based format
CHEMBL207320 OBDepict H 3 C CH 3 N N H 3 C CH 3 S N H IC50 = 45.0 nM 367.56 CC(C)CN(Cc1csc(Nc2cccc3ccccc23)n1)CC(C)C Homo sapiens CHEMBL870148 cell-based format
CHEMBL372399 OBDepict Cl Cl NH N N N N O H NH IC50 = 50.0 nM 449.39 O=C([C@H]1CCCCN1)N1CCN(c2nccc(NCc3ccc(Cl)cc3Cl)n2)CC1 Homo sapiens CHEMBL863428 cell-based format
CHEMBL4637143 OBDepict HO N H N N N N N CH 3 H N Cl Cl IC50 = 50.0 nM 500.43 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CC([C@H]4CCCN(CCO)C4)C3)nc21 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL4558456 OBDepict HO H N H H CH 3 N N N N N CH 3 H N Cl Cl IC50 = 58.0 nM 514.46 C[C@@H]1CN(c2cnc3c(C#N)nn([C@H](C)c4ccc(Cl)cc4Cl)c3n2)CC[C@@H]1N1CCC[C@H]1CO Homo sapiens CHEMBL4367190 cell-based format
CHEMBL4645325 OBDepict O N H H 3 C CH 3 N H N N N N N CH 3 H 3 C H Cl Cl IC50 = 59.0 nM 558.56 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCNC(=O)C(C)C)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL200465 OBDepict Cl Cl HN N N N N O H HN IC50 = 60.0 nM 435.36 O=C([C@H]1CCCN1)N1CCN(c2nccc(NCc3ccc(Cl)cc3Cl)n2)CC1 Homo sapiens CHEMBL863428 cell-based format
CHEMBL487635 OBDepict CH 3 O O H 3 C N H N N N N IC50 = 70.0 nM 453.63 COc1cc2nc(N3CCC(N4CCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC Homo sapiens CHEMBL968019 single protein format
CHEMBL4459231 OBDepict HO H N H H CH 3 N N N N CH 3 H N Cl Cl IC50 = 70.0 nM 511.46 C[C@@H]1CC(c2cnc3c(C#N)nn([C@H](C)c4ccc(Cl)cc4Cl)c3n2)=CC[C@@H]1N1CCC[C@H]1CO Homo sapiens CHEMBL4367190 cell-based format
CHEMBL508207 OBDepict CH 3 O O CH 3 HN N N N N IC50 = 73.0 nM 467.66 COc1cc2nc(N3CCC(N4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC Homo sapiens CHEMBL946416 cell-based format
CHEMBL4634054 OBDepict HO N H N N N N N CH 3 H 3 C H Cl Cl IC50 = 74.0 nM 489.45 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCO)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL379460 OBDepict CH 3 H 3 C H 3 C N S N H IC50 = 80.0 nM 282.41 CC(C)(C)c1csc(Nc2cccc3ccccc23)n1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL394859 OBDepict Cl Cl HN N N N N N O H HN IC50 = 80.0 nM 486.41 O=C([C@@H]1CCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3Cl)c3cccnc3n2)CC1 Homo sapiens CHEMBL890042 cell-based format
CHEMBL206878 OBDepict CH 3 H 3 C H 3 C N O N H IC50 = 80.0 nM 266.34 CC(C)(C)c1coc(Nc2cccc3ccccc23)n1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL4639600 OBDepict N N N N N CH 3 H N Cl Cl H N N N H IC50 = 97.0 nM 536.47 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CC([C@H]4CCCN(Cc5cnc[nH]5)C4)C3)nc21 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL4641873 OBDepict OH N H N N N N N CH 3 H 3 C H Cl Cl IC50 = 109.0 nM 503.48 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCCO)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL599995 OBDepict OH HO O H 3 C O N N HN O O F F F IC50 = 110.0 nM 479.41 Cc1c(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)c(=O)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL4636749 OBDepict Cl Cl N H 3 C H N N H 3 C N N H N N H S O O H 3 C CH 3 IC50 = 115.0 nM 594.61 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCNS(=O)(=O)C(C)C)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL600196 OBDepict CH 3 N N O O CH 3 OH HO IC50 = 131.0 nM 304.35 CCN1CCN(c2c(C)c3c(O)cc(O)cc3oc2=O)CC1 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL4641595 OBDepict H 3 C O N H O N H N N N N N CH 3 H 3 C H Cl Cl IC50 = 133.0 nM 546.5 COC(=O)NCCN1CCC[C@H](C2CN(c3cnc4c(C)nn([C@H](C)c5ccc(Cl)cc5Cl)c4n3)C2)C1 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL4647188 OBDepict Cl Cl N CH 3 H N N H 3 C N N H N HN S O O H 3 C IC50 = 136.0 nM 566.56 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCNS(C)(=O)=O)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL397028 OBDepict CH 3 N H 3 C NH H 3 C N N N H N Cl Cl IC50 = 140.0 nM 461.44 CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2cccnc2n1 Homo sapiens CHEMBL890042 cell-based format
CHEMBL486840 OBDepict CH 3 O O N H 3 C N N N H N Cl IC50 = 150.0 nM 468.0 COc1cc2nc(N3CCC(N4CCCC4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC Homo sapiens CHEMBL968019 single protein format
CHEMBL4567398 OBDepict HO H N H H CH 3 N N N N N H 3 C CH 3 H Cl Cl IC50 = 151.0 nM 503.48 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC[C@H](N4CCC[C@H]4CO)[C@H](C)C3)cnc12 Homo sapiens CHEMBL4367190 cell-based format
CHEMBL207589 OBDepict CH 3 H 3 C N S N H IC50 = 170.0 nM 268.38 CC(C)c1csc(Nc2cccc3ccccc23)n1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL4443688 OBDepict HO H N H H CH 3 N N N N H 3 C CH 3 H Cl Cl IC50 = 179.0 nM 500.47 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(C3=CC[C@H](N4CCC[C@H]4CO)[C@H](C)C3)cnc12 Homo sapiens CHEMBL4367190 cell-based format
CHEMBL4460062 OBDepict Cl Cl N H 3 C H N N CH 3 N N H H 3 C H N IC50 = 195.0 nM 501.51 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC[C@H](N4CCCCCC4)[C@H](C)C3)cnc12 Homo sapiens CHEMBL4367190 cell-based format
CHEMBL600017 OBDepict CH 3 N N O O CH 3 O N IC50 = 196.0 nM 385.51 Cc1c(N2CCN(C)CC2)c(=O)oc2cc(OCCN3CCCCC3)ccc12 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL208249 OBDepict H 3 C CH 3 CH 3 N S N H IC50 = 210.0 nM 286.44 CC(C)(C)c1csc(Nc2cccc3c2CCCC3)n1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL208458 OBDepict CH 3 N N H S N H 3 C H 3 C CH 3 IC50 = 210.0 nM 299.44 CCn1ccc2c(Nc3nc(C(C)(C)C)cs3)cccc21 Homo sapiens CHEMBL870148 cell-based format
CHEMBL4556507 OBDepict Cl Cl N H 3 C H N N H 3 C N N H CH 3 H N IC50 = 218.0 nM 459.43 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC[C@H](N4CCC4)[C@H](C)C3)cnc12 Homo sapiens CHEMBL4367190 cell-based format
CHEMBL424689 OBDepict H 3 C H 3 C H 3 C N S N H IC50 = 220.0 nM 296.44 CC(C)(C)Cc1csc(Nc2cccc3ccccc23)n1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL245730 OBDepict CH 3 N O H N S N O O Cl O H 2 N Ki = 240.0 nM 583.15 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2C(N)=O)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL4640439 OBDepict NH 2 O N H N N N N N CH 3 H 3 C H Cl Cl IC50 = 247.0 nM 516.48 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCC(N)=O)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL44198 OBDepict O N H N O H S H N Cl N H O Cl O H 3 C H IC50 = 250.0 nM 593.58 C[C@@H](NC(=O)C[C@H]1S[C@H](c2ccc(Cl)cc2Cl)N(CC(=O)NCCCN2CCOCC2)C1=O)c1ccccc1 Homo sapiens CHEMBL656318 cell-based format
CHEMBL4647117 OBDepict Cl Cl N CH 3 H N N H 3 C N N H N S O O H 3 C IC50 = 259.0 nM 565.57 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCCS(C)(=O)=O)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL4473604 OBDepict Cl Cl N CH 3 H N N CH 3 N N H H 3 C H N H S O O H 2 N IC50 = 259.0 nM 580.59 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC[C@H](N4CCC[C@H]4CCS(N)(=O)=O)[C@H](C)C3)cnc12 Homo sapiens CHEMBL4367190 cell-based format
CHEMBL246335 OBDepict CH 3 N O H N S N O O Cl F Ki = 260.0 nM 558.12 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2F)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL206789 OBDepict CH 3 H 3 C N H S N H 3 C CH 3 H 3 C IC50 = 260.0 nM 260.41 Cc1cccc(Nc2nc(C(C)(C)C)cs2)c1C Homo sapiens CHEMBL870148 cell-based format
CHEMBL195298 OBDepict CH 3 N H 3 C NH H 3 C N N NH Cl Cl IC50 = 270.0 nM 410.39 CCN(CC)CCCC(C)Nc1nccc(NCc2ccc(Cl)cc2Cl)n1 Homo sapiens CHEMBL832881 single protein format
CHEMBL395680 OBDepict CH 3 N O H N S N O O Cl H 2 N Ki = 280.0 nM 555.14 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2N)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL396787 OBDepict CH 3 N CH 3 N H CH 3 N N N Cl Cl IC50 = 280.0 nM 434.42 CCN(CC)CCCC(C)Nc1ccc2cnn(Cc3ccc(Cl)cc3Cl)c2n1 Homo sapiens CHEMBL890042 cell-based format
CHEMBL233047 OBDepict CH 3 N H 3 C H 3 C NH N N N H Cl Cl NH 3 IC50 = 280.0 nM 427.42 CCN(CC)C(C)CCCNc1nccc(NCc2ccc(Cl)cc2Cl)n1.N Homo sapiens CHEMBL890042 cell-based format
CHEMBL370861 OBDepict H 3 C N N O N N N N H Cl Cl IC50 = 300.0 nM 463.41 CN1CCCC(C(=O)N2CCN(c3ccnc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1 Homo sapiens CHEMBL863428 cell-based format
CHEMBL207857 OBDepict CH 3 H 3 C H 3 C N S N H N IC50 = 300.0 nM 283.4 CC(C)(C)c1csc(Nc2cccc3ncccc23)n1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL207780 OBDepict CH 3 N H CH 3 N N F F F IC50 = 340.0 nM 481.61 Cc1cccc(Nc2cccc(CN(Cc3ccccc3C(F)(F)F)CC3CCCCC3)n2)c1C Homo sapiens CHEMBL870148 cell-based format
CHEMBL4575089 OBDepict H 2 N O H N H H CH 3 N N N N N H 3 C CH 3 H Cl Cl IC50 = 355.0 nM 544.53 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC[C@H](N4CCC[C@H]4CCC(N)=O)[C@H](C)C3)cnc12 Homo sapiens CHEMBL4367190 cell-based format
CHEMBL42168 OBDepict H 3 C N H 3 C N H O N O H S H Cl NH O Cl IC50 = 360.0 nM 587.57 CN(C)CCCNC(=O)CN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)S[C@@H]1c1ccc(Cl)cc1Cl Homo sapiens CHEMBL656318 cell-based format
CHEMBL4465359 OBDepict Cl Cl N H 3 C H N N CH 3 N N H H 3 C H N IC50 = 361.0 nM 487.48 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC[C@H](N4CCCCC4)[C@H](C)C3)cnc12 Homo sapiens CHEMBL4367190 cell-based format
CHEMBL380537 OBDepict CH 3 CH 3 N H N CH 3 N N F F F IC50 = 370.0 nM 484.61 Cc1cccc(Nc2cc(CN(Cc3ccccc3C(F)(F)F)CC3CCCCC3)nn2C)c1C Homo sapiens CHEMBL870148 cell-based format
CHEMBL4643158 OBDepict OH O N H N N N N N CH 3 H 3 C H Cl Cl IC50 = 370.0 nM 517.46 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCC(=O)O)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL4637695 OBDepict HO N H N N N N N CH 3 H N O CH 3 CH 3 Cl Cl IC50 = 379.0 nM 546.5 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C(=O)N(C)C)c2ncc(N3CC([C@H]4CCCN(CCO)C4)C3)nc21 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL4447900 OBDepict Cl Cl N H 3 C H N N CH 3 N N H H 3 C H N H H 3 C IC50 = 381.0 nM 487.48 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC[C@H](N4CCC[C@H]4C)[C@H](C)C3)cnc12 Homo sapiens CHEMBL4367190 cell-based format
CHEMBL601653 OBDepict CH 3 O OH O CH 3 O N N H 3 C IC50 = 389.0 nM 304.35 COc1cc(O)c2c(C)c(N3CCN(C)CC3)c(=O)oc2c1 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL396166 OBDepict Cl N N CH 3 O H N S O O Cl Ki = 400.0 nM 574.57 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2cccc(Cl)c2)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL4639418 OBDepict N N N N N CH 3 H N Cl Cl H N O HO IC50 = 409.0 nM 528.44 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CC([C@H]4CCCN(CCC(=O)O)C4)C3)nc21 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL605581 OBDepict H 3 C N N O O CH 3 O O IC50 = 420.0 nM 302.33 Cc1c(N2CCN(C)CC2)c(=O)oc2cc3c(cc12)OCO3 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL206788 OBDepict H 3 C CH 3 N H S N H 3 C CH 3 H 3 C IC50 = 440.0 nM 274.43 CC(C)c1ccccc1Nc1nc(C(C)(C)C)cs1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL4633133 OBDepict HO N H N N N N N H 3 C H HN O CH 3 Cl Cl IC50 = 446.0 nM 532.48 CNC(=O)c1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCO)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL245331 OBDepict CH 3 N O H N S N O O Cl Cl Ki = 460.0 nM 574.57 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2Cl)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL245531 OBDepict H 3 C O N N H 3 C O H N S O O Cl Ki = 470.0 nM 570.16 COc1cccc(CCN2CCC(N(C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc4c(Cl)cccc4c3)CC2)c1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL589521 OBDepict H 3 C O O O CH 3 CH 3 N O N CH 3 IC50 = 478.0 nM 318.37 COc1cc(OC)c2c(C)c(N3CCN(C)CC3)c(=O)oc2c1 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL207479 OBDepict H N N H S N H 3 C H 3 C H 3 C IC50 = 490.0 nM 271.39 CC(C)(C)c1csc(Nc2cccc3[nH]ccc23)n1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL233045 OBDepict CH 3 N H 3 C NH H 3 C N N N H Cl Cl IC50 = 500.0 nM 460.45 CCN(CC)CCCC(C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2ccccc2n1 Homo sapiens CHEMBL890042 cell-based format
CHEMBL246334 OBDepict CH 3 N O H N S N O O Cl Ki = 500.0 nM 540.13 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2)CC1 Homo sapiens CHEMBL906417 cell-based format
CHEMBL488704 OBDepict H 3 C O O N CH 3 N N NH N Br IC50 = 510.0 nM 512.45 COc1cc2nc(N3CCC(N4CCCC4)CC3)nc(Nc3cccc(Br)c3)c2cc1OC Homo sapiens CHEMBL968019 single protein format
CHEMBL4633494 OBDepict N N H N N N N N CH 3 H N Cl Cl IC50 = 523.0 nM 509.45 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CC([C@H]4CCCN(CCC#N)C4)C3)nc21 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL603104 OBDepict CH 3 N N O O CH 3 O S IC50 = 527.0 nM 384.5 Cc1c(N2CCN(C)CC2)c(=O)oc2cc(OCCc3cccs3)ccc12 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL397848 OBDepict CH 3 N O H N S N O O Cl O HO Ki = 530.0 nM 584.14 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccccc2C(=O)O)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL600805 OBDepict CH 3 NH N O N O O CH 3 OH HO IC50 = 539.0 nM 417.51 CCCCCCCNC(=O)N1CCN(c2c(C)c3c(O)cc(O)cc3oc2=O)CC1 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL4638846 OBDepict OH O N H N N N N N CH 3 H 3 C H Cl Cl IC50 = 559.0 nM 531.49 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCCC(=O)O)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL4633920 OBDepict Cl Cl N CH 3 H N N CH 3 N N H N S O O H 3 C IC50 = 575.0 nM 551.54 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCS(C)(=O)=O)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL246986 OBDepict CH 3 N O H N S N O O Ki = 590.0 nM 505.68 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C1CCN(CCc2ccccc2)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL397845 OBDepict CH 3 N O H N S N O O Ki = 620.0 nM 519.71 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C1CCN(CCCc2ccccc2)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL4455432 OBDepict H 2 N H N H H CH 3 N N N N CH 3 H N Cl Cl IC50 = 638.0 nM 510.47 C[C@@H]1CC(c2cnc3c(C#N)nn([C@H](C)c4ccc(Cl)cc4Cl)c3n2)=CC[C@@H]1N1CCC[C@H]1CN Homo sapiens CHEMBL4367190 cell-based format
CHEMBL510375 OBDepict CH 3 O O N H 3 C N N N H N H 3 C CH 3 IC50 = 660.0 nM 427.59 COc1cc2nc(N3CCN(C(C)C)CC3)nc(NC3CCCCCC3)c2cc1OC Homo sapiens CHEMBL946416 cell-based format
CHEMBL600016 OBDepict CH 3 N N O O CH 3 O N O IC50 = 671.0 nM 387.48 Cc1c(N2CCN(C)CC2)c(=O)oc2cc(OCCN3CCOCC3)ccc12 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL199733 OBDepict H 3 C N N O N N N N H Cl Cl IC50 = 700.0 nM 463.41 CN1CCCC(C(=O)N2CCN(c3nccc(NCc4ccc(Cl)cc4Cl)n3)CC2)C1 Homo sapiens CHEMBL863428 cell-based format
CHEMBL4643609 OBDepict Cl Cl N CH 3 H N N CH 3 N N H N S O O H 2 N IC50 = 717.0 nM 552.53 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC([C@H]4CCCN(CCS(N)(=O)=O)C4)C3)cnc12 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL488640 OBDepict CH 3 O O N H 3 C N N N H N H 3 C CH 3 IC50 = 730.0 nM 427.59 COc1cc2nc(N3CCC(N(C)C)CC3)nc(NC3CCCCCC3)c2cc1OC Homo sapiens CHEMBL946416 cell-based format
CHEMBL601650 OBDepict H 3 C N N O O CH 3 OH IC50 = 775.0 nM 274.32 Cc1c(N2CCN(C)CC2)c(=O)oc2cc(O)ccc12 Homo sapiens CHEMBL1072093 cell-based format
CHEMBL4645037 OBDepict N N N N N CH 3 H N Cl Cl H N O HO IC50 = 775.0 nM 514.42 C[C@H](c1ccc(Cl)cc1Cl)n1nc(C#N)c2ncc(N3CC([C@H]4CCCN(CC(=O)O)C4)C3)nc21 Homo sapiens CHEMBL4630441 cell-based format
CHEMBL439518 OBDepict CH 3 N H 3 C N S N H IC50 = 800.0 nM 311.45 CCN(CC)Cc1csc(Nc2cccc3ccccc23)n1 Homo sapiens CHEMBL870148 cell-based format
CHEMBL199913 OBDepict Cl Cl HN N N N N O N H IC50 = 800.0 nM 449.39 O=C(C1CCCNC1)N1CCN(c2nccc(NCc3ccc(Cl)cc3Cl)n2)CC1 Homo sapiens CHEMBL863428 cell-based format
CHEMBL245332 OBDepict Cl N N CH 3 O H N S O O Cl Ki = 820.0 nM 574.57 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cccc2c1)C1CCN(CCc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL232839 OBDepict CH 3 N CH 3 N H CH 3 N N N N Cl Cl IC50 = 820.0 nM 435.4 CCN(CC)CCCC(C)Nc1ncc2ncn(Cc3ccc(Cl)cc3Cl)c2n1 Homo sapiens CHEMBL890042 cell-based format
CHEMBL232840 OBDepict CH 3 N H 3 C N H H 3 C N N N N Cl Cl IC50 = 830.0 nM 435.4 CCN(CC)CCCC(C)Nc1ncc2c(ncn2Cc2ccc(Cl)cc2Cl)n1 Homo sapiens CHEMBL890042 cell-based format
CHEMBL40366 OBDepict O N H N S O N N H O Cl O IC50 = 830.0 nM 595.17 O=C(CC1SC(c2ccc(Cl)cc2)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL656318 cell-based format
CHEMBL42585 OBDepict O N H N O H S H N N H O Cl O IC50 = 830.0 nM 595.17 O=C(C[C@H]1S[C@H](c2ccc(Cl)cc2)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc2ccccc12 Homo sapiens CHEMBL656318 cell-based format
CHEMBL245313 OBDepict CH 3 N O H N S N O O F Ki = 850.0 nM 523.67 CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(F)cccc2c1)C1CCN(CCc2ccccc2)CC1 Homo sapiens CHEMBL906418 cell-based format
CHEMBL4518040 OBDepict N H N H H H 3 C N N N N N CH 3 H 3 C H Cl Cl IC50 = 865.0 nM 526.52 Cc1nn([C@H](C)c2ccc(Cl)cc2Cl)c2nc(N3CC[C@H](N4CCC[C@H]4CCC#N)[C@H](C)C3)cnc12 Homo sapiens CHEMBL4367190 cell-based format
CHEMBL205490 OBDepict H 3 C CH 3 H 3 C N S N H IC50 = 900.0 nM 358.51 CC(C)(C)c1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1 Homo sapiens CHEMBL870148 cell-based format