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Q00975 | CAC1B_HUMAN | Voltage-dependent N-type calcium channel subunit alpha-1B (CACNA1B)

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
CHEMBL4288564 OBDepict H 3 C N H 3 C N N H 3 C CH 3 O H 3 C H 3 C Cl IC50 = 1.0 nM 466.07 CCN(CC)c1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4279774 OBDepict CH 3 O N N CH 3 CH 3 O H 3 C CH 3 Cl IC50 = 1.0 nM 424.97 COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4292697 OBDepict H 3 C O N N H 3 C H 3 C O CH 3 H 3 C N IC50 = 1.0 nM 415.54 COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(C#N)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4290426 OBDepict CH 3 O N N O H 3 C H 3 C Cl IC50 = 2.0 nM 396.92 COc1ccccc1-n1nc(C2CCOC(C)(C)C2)cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4282095 OBDepict CH 3 O N N O H 3 C H 3 C CH 3 O H 3 C H 3 C IC50 = 2.0 nM 434.58 CCOc1ccc(-c2cc(C3CC(C)(C)OC(C)(C)C3)nn2-c2ccccc2OC)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4289288 OBDepict CH 3 O N N H CH 3 O H CH 3 Cl IC50 = 2.0 nM 396.92 COc1ccccc1-n1nc(C2C[C@H](C)O[C@@H](C)C2)cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4278633 OBDepict H 3 C O N N H H CH 3 O H CH 3 Cl IC50 = 3.0 nM 396.92 COc1ccccc1-n1nc([C@@H]2C[C@H](C)O[C@H](C)C2)cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4293756 OBDepict CH 3 O N N H 3 C H 3 C O H 3 C CH 3 Cl IC50 = 3.0 nM 422.96 COc1ccccc1-n1nc(C2=CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4283590 OBDepict CH 3 O N N N O H 3 C H 3 C CH 3 O H 3 C H 3 C IC50 = 5.0 nM 435.57 CCOc1ccc(-c2cc(C3CC(C)(C)OC(C)(C)C3)nn2-c2ccccc2OC)cn1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4277584 OBDepict CH 3 O N N S Cl H 3 C CH 3 O H 3 C H 3 C IC50 = 6.0 nM 431.0 COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1csc(Cl)c1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4294178 OBDepict CH 3 O N N N CH 3 CH 3 O H 3 C CH 3 H 3 C IC50 = 6.0 nM 405.54 COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(C)nc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4291986 OBDepict Cl N N N H 3 C CH 3 O H 3 C H 3 C IC50 = 7.0 nM 395.93 CC1(C)CC(c2cc(-c3ccc(Cl)cc3)n(-c3ccncc3)n2)CC(C)(C)O1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4285527 OBDepict H 3 C O N N H O H Cl H 3 C CH 3 IC50 = 7.0 nM 410.95 COc1ccccc1-n1nc([C@@H]2CCO[C@H](C(C)C)C2)cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4280661 OBDepict CH 3 O N N N Cl CH 3 H 3 C O CH 3 CH 3 IC50 = 11.0 nM 425.96 COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccnc(Cl)c1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4284117 OBDepict Cl N N N H 3 C CH 3 O H 3 C H 3 C IC50 = 12.0 nM 395.93 CC1(C)CC(c2cc(-c3ccc(Cl)cc3)n(-c3ccccn3)n2)CC(C)(C)O1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL4285877 OBDepict H 3 C O N N H O H Cl H 3 C CH 3 IC50 = 20.0 nM 410.95 COc1ccccc1-n1nc([C@@H]2CCO[C@@H](C(C)C)C2)cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL3092205 OBDepict O N F F F S N O O CH 3 S O O F F F IC50 = 21.0 nM 598.59 CS(=O)(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(C(F)(F)F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL3092201 OBDepict O N S O O CH 3 N F F F S O O F F F IC50 = 27.0 nM 598.59 CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL4292985 OBDepict CH 3 O N N O Cl IC50 = 30.0 nM 368.86 COc1ccccc1-n1nc(C2CCOCC2)cc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL4260511 cell-based format
CHEMBL3092218 OBDepict Cl S N O O O CH 3 H CH 3 H N S O O F F F IC50 = 48.0 nM 551.01 C[C@H]1[C@H](N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CN1C(=O)c1ccc(S(C)(=O)=O)cc1Cl Homo sapiens CHEMBL3096559 cell-based format
CHEMBL2180892 OBDepict CH 3 O N O H 3 C N S O O F F F IC50 = 60.0 nM 498.57 COc1cccc(OC)c1CN1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2187793 cell-based format
CHEMBL3092220 OBDepict O N S O O CH 3 F F F N S O O F F F IC50 = 72.0 nM 598.59 CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)N1CCC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL3978361 OBDepict CH 3 O F F HN N O H 3 C CH 3 Ki = 100.0 nM 314.38 CCCCOc1cccc(C(F)(F)CNCC(=O)N(C)C)c1 Homo sapiens CHEMBL3889051 assay format
CHEMBL3954509 OBDepict H 3 C O F F NH N O CH 3 CH 3 Ki = 100.0 nM 342.43 CCCCCCOc1cccc(C(F)(F)CNCC(=O)N(C)C)c1 Homo sapiens CHEMBL3889051 assay format
CHEMBL3894280 OBDepict O N CH 3 CH 3 N H F F O F F F Ki = 100.0 nM 368.35 CN(C)C(=O)CNCC(F)(F)c1cccc(OCCCC(F)(F)F)c1 Homo sapiens CHEMBL3889051 assay format
CHEMBL2180894 OBDepict O N O F F F N S O O F F F IC50 = 120.0 nM 536.49 O=C(c1ccccc1OC(F)(F)F)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2187793 cell-based format
CHEMBL355833 OBDepict H 3 C O N O S H N H O H NH O S O IC50 = 120.0 nM 571.77 COC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL2180891 OBDepict CH 3 N S O O F F F N O O CH 3 CH 3 IC50 = 120.0 nM 500.58 CCCN(C1CCN(Cc2c(OC)cccc2OC)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL2187793 cell-based format
CHEMBL355254 OBDepict H 3 C O N O S H N H O H HN O S O IC50 = 120.0 nM 585.79 COCC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL76163 OBDepict O NH HN H S O H N N S O O CH 3 CH 3 H 3 C IC50 = 150.0 nM 590.86 CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL752900 cell-based format
CHEMBL3092214 OBDepict F S N O O O CH 3 N S O O F F F IC50 = 190.0 nM 548.58 CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC2(CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL1643724 OBDepict CH 3 CH 3 N N H O H 3 C CH 3 NH O H 3 C H 3 C CH 3 H 3 C CH 3 H 3 C IC50 = 190.0 nM 475.68 Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3n2CC(=O)NC(C)(C)C)c1 Homo sapiens CHEMBL1647978 single protein format
CHEMBL554925 OBDepict CH 3 O N S H N H O H NH O S O IC50 = 200.0 nM 571.81 COCCN1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL422741 OBDepict H HN N H O O CH 3 CH 3 H 3 C N H CH 3 O H 3 C H 3 C O IC50 = 200.0 nM 549.76 CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)C1CCCCC1 Homo sapiens CHEMBL752911 cell-based format
CHEMBL3903255 OBDepict CH 3 O F F HN N O Ki = 200.0 nM 340.41 CCCCOc1cccc(C(F)(F)CNCC(=O)N2CCCC2)c1 Homo sapiens CHEMBL3889051 assay format
CHEMBL3977403 OBDepict O N NH F F O F F F Ki = 200.0 nM 394.38 O=C(CNCC(F)(F)c1cccc(OCCCC(F)(F)F)c1)N1CCCC1 Homo sapiens CHEMBL3889051 assay format
CHEMBL231820 OBDepict H 3 C N CH 3 O S N Br IC50 = 210.0 nM 391.33 CCC(C)N1C(=O)CSC1c1cnccc1-c1ccc(Br)cc1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL303039 OBDepict CH 3 H 3 C N H H 3 C N H O H NH O Cl H 3 C H 3 C CH 3 O O IC50 = 230.0 nM 592.18 CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccc(Cl)cc1 Homo sapiens CHEMBL751984 cell-based format
CHEMBL2180898 OBDepict O N N CH 3 H 3 C N S O O F F F IC50 = 240.0 nM 495.57 CN(C)c1cccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 Homo sapiens CHEMBL2187793 cell-based format
CHEMBL3092217 OBDepict O N F F F N S S O O H 3 C O O F F F IC50 = 270.0 nM 570.53 CS(=O)(=O)c1ccc(C(=O)N2CC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)c(C(F)(F)F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL173060 OBDepict CH 3 N CH 3 H HN O CH 3 H 3 C H N H O CH 3 CH 3 H 3 C O O IC50 = 280.0 nM 523.72 CCCCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C Homo sapiens CHEMBL752911 cell-based format
CHEMBL353606 OBDepict O NH N H H S O H HN S O IC50 = 290.0 nM 513.73 O=C(N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CSCN1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL3092204 OBDepict Cl S N O O O CH 3 N S O O F F F IC50 = 290.0 nM 565.04 CS(=O)(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL2180896 OBDepict O N O N S F F F O O F F F IC50 = 300.0 nM 536.49 O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2187793 cell-based format
CHEMBL3897897 OBDepict CH 3 O F F N H N O CH 3 H 3 C Ki = 300.0 nM 342.43 CCCCOc1cccc(C(F)(F)CNCC(=O)N(CC)CC)c1 Homo sapiens CHEMBL3889051 assay format
CHEMBL3092219 OBDepict O N F F F S O O CH 3 N S O O F F F IC50 = 310.0 nM 598.59 CS(=O)(=O)c1ccc(C(=O)N2CCC3(CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)C2)c(C(F)(F)F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL135329 OBDepict CH 3 CH 3 N H H N H O N O H O O H 3 C H 3 C CH 3 O O IC50 = 320.0 nM 579.74 CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)(C)C Homo sapiens CHEMBL752911 cell-based format
CHEMBL277085 OBDepict H N H HN O O CH 3 H 3 C CH 3 N H H 3 C O CH 3 H 3 C O CH 3 CH 3 IC50 = 320.0 nM 537.75 CC(C)CCN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C Homo sapiens CHEMBL752911 cell-based format
CHEMBL170698 OBDepict H 2 C O N O S H N H O H HN O S O IC50 = 330.0 nM 597.8 C=CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL3092202 OBDepict Cl N O S O O H 3 C N S O O F F F IC50 = 340.0 nM 565.04 CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL172384 OBDepict HO N S H NH O H HN O S O IC50 = 350.0 nM 557.78 O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSCN1CCO Homo sapiens CHEMBL751985 cell-based format
CHEMBL3092203 OBDepict F S N O O O CH 3 N S O O F F F IC50 = 350.0 nM 548.58 CS(=O)(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL303609 OBDepict CH 3 H 3 C N H N H O CH 3 H NH O H 3 C H 3 C CH 3 O O IC50 = 360.0 nM 557.74 CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccccc1 Homo sapiens CHEMBL751984 cell-based format
CHEMBL3092222 OBDepict O N O S F F F O O CH 3 S O O F F F IC50 = 360.0 nM 573.53 CS(=O)(=O)c1ccc(C(=O)N2CCC(CS(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(OC(F)(F)F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL72446 OBDepict O N H H N S H O O N O S H 3 C H 3 C CH 3 N IC50 = 370.0 nM 590.86 CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(Cc2ccccc2)CC1 Homo sapiens CHEMBL752910 cell-based format
CHEMBL2180895 OBDepict O N O N F F F S O O F F F IC50 = 370.0 nM 536.49 O=C(c1cccc(OC(F)(F)F)c1)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2187793 cell-based format
CHEMBL3092223 OBDepict O N O S F F F O O CH 3 S CH 3 O O F F F IC50 = 370.0 nM 587.56 CC(C1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2OC(F)(F)F)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL3092210 OBDepict F S N O O O CH 3 N S O O F F F IC50 = 370.0 nM 534.55 CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL2180897 OBDepict H 3 C O O N O N S O O F F F IC50 = 380.0 nM 510.53 COC(=O)c1cccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c1 Homo sapiens CHEMBL2187793 cell-based format
CHEMBL3092212 OBDepict F S N O O O CH 3 H CH 3 H N S O O F F F IC50 = 380.0 nM 534.55 C[C@@H]1[C@H](N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(F)ccc1S(C)(=O)=O Homo sapiens CHEMBL3096559 cell-based format
CHEMBL308984 OBDepict O N H N H H S O N H H N S O O CH 3 CH 3 H 3 C IC50 = 380.0 nM 564.82 CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCCNCc1ccccc1 Homo sapiens CHEMBL752910 cell-based format
CHEMBL369244 OBDepict H N H NH O O CH 3 CH 3 H 3 C N H CH 3 O H 3 C CH 3 CH 3 H 3 C O IC50 = 380.0 nM 523.72 CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)CC(C)C Homo sapiens CHEMBL752911 cell-based format
CHEMBL2414787 OBDepict H 3 C HN CH 3 H N H O CH 3 CH 3 CH 3 H H N H S O O F F F IC50 = 390.0 nM 503.63 CC(C)N[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 Homo sapiens CHEMBL2415349 single protein format
CHEMBL3092208 OBDepict H 2 N O O N O F F F N S O O F F F IC50 = 390.0 nM 579.52 NC(=O)c1ccc(C(=O)N2CCC(N(C3CC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)c(OC(F)(F)F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL170453 OBDepict H 3 C O O O HN H S O H N S O O CH 3 H 3 C CH 3 IC50 = 390.0 nM 552.76 COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL433125 OBDepict O N H H N S H O O N O S H 3 C H 3 C CH 3 N IC50 = 390.0 nM 576.83 CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(c2ccccc2)CC1 Homo sapiens CHEMBL752910 cell-based format
CHEMBL170471 OBDepict H N H NH O O CH 3 CH 3 H 3 C N H CH 3 O H 3 C CH 3 O CH 3 H 3 C CH 3 IC50 = 400.0 nM 551.77 CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)CCC(C)(C)C Homo sapiens CHEMBL752911 cell-based format
CHEMBL3092213 OBDepict F S N O O O CH 3 H CH 3 H N S O O F F F IC50 = 430.0 nM 534.55 C[C@H]1[C@H](N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CN1C(=O)c1cc(F)ccc1S(C)(=O)=O Homo sapiens CHEMBL3096559 cell-based format
CHEMBL3092200 OBDepict N S O O CH 3 N O N S O O F F F IC50 = 450.0 nM 555.6 CS(=O)(=O)c1cc(C#N)ccc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL2414779 OBDepict H 3 C CH 3 N H NH O H 3 C CH 3 H H N H S O O F F F IC50 = 450.0 nM 475.58 CC(C)C[C@@H](C(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@H]21)N(C)C Homo sapiens CHEMBL2415349 single protein format
CHEMBL78017 OBDepict OH N N IC50 = 460.0 nM 468.69 Oc1c(CN2CCCCCC2)ccc2c1CCN(CCCC(c1ccccc1)c1ccccc1)C2 Homo sapiens CHEMBL752907 cell-based format
CHEMBL3092215 OBDepict O N S O O CH 3 N S H 3 C O O F F F IC50 = 460.0 nM 504.55 CN(C1CCN(C(=O)c2ccccc2S(C)(=O)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL3092216 OBDepict CH 3 N S O O F F F N O O F F F IC50 = 470.0 nM 524.48 CCN(C1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL245173 OBDepict CH 3 H 3 C N O S N H 3 C IC50 = 490.0 nM 326.47 Cc1ccc(-c2ccncc2C2SCC(=O)N2CC(C)C)cc1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL2414769 OBDepict H 3 C NH H NH O CH 3 CH 3 H 3 C H H N H S O O F F F IC50 = 490.0 nM 489.6 CCN[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]21 Homo sapiens CHEMBL2415349 single protein format
CHEMBL419805 OBDepict H 3 C O N H 3 C H NH O CH 3 CH 3 H N H O CH 3 CH 3 H 3 C O O IC50 = 500.0 nM 587.76 COc1ccc(CN(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(OC(=O)c3ccccc3)cc2)C(=O)NC(C)(C)C)cc1 Homo sapiens CHEMBL751984 cell-based format
CHEMBL3897000 OBDepict O N CH 3 H 3 C N H F F O Ki = 500.0 nM 348.39 CN(C)C(=O)CNCC(F)(F)c1cccc(OCc2ccccc2)c1 Homo sapiens CHEMBL3889051 assay format
CHEMBL389993 OBDepict H 3 C CH 3 N O S N Br IC50 = 500.0 nM 391.33 CC(C)CN1C(=O)CSC1c1ccncc1-c1ccc(Br)cc1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL3092198 OBDepict F S N O O O CH 3 S H 3 C CH 3 O O F F F IC50 = 510.0 nM 535.58 CC(C)(C1CCN(C(=O)c2cc(F)ccc2S(C)(=O)=O)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3096559 cell-based format
CHEMBL233855 OBDepict CH 2 N S N O H 3 C CH 3 IC50 = 510.0 nM 338.48 C=Cc1ccc(-c2ccncc2C2SCC(=O)N2CC(C)C)cc1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL2030594 OBDepict CH 3 O O NH CH 3 O O O HO Cl Cl IC50 = 520.0 nM 504.37 COC(OC)C1=C(C(=O)OC/C=C/c2ccccc2)C(c2ccc(Cl)c(Cl)c2)C(C(=O)O)=CN1 Homo sapiens CHEMBL2032639 cell-based format
CHEMBL1643725 OBDepict CH 3 O N CH 3 CH 3 H 3 C CH 3 HN O H 3 C H 3 C CH 3 IC50 = 520.0 nM 420.6 COCCn1c(-c2cc(C)cc(C)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21 Homo sapiens CHEMBL1647978 single protein format
CHEMBL2414777 OBDepict H 3 C N H H N H O H 3 C CH 3 H H N H S O O F F F IC50 = 520.0 nM 461.55 CN[C@@H](CC(C)C)C(=O)N[C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C[C@H]21 Homo sapiens CHEMBL2415349 single protein format
CHEMBL234915 OBDepict CH 2 N S N O H 3 C CH 3 IC50 = 530.0 nM 338.48 C=Cc1ccc(-c2cnccc2C2SCC(=O)N2CC(C)C)cc1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL1643726 OBDepict CH 3 CH 3 N CH 3 N CH 3 O CH 3 CH 3 N H O H 3 C CH 3 H 3 C IC50 = 540.0 nM 471.65 Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3n2Cc2c(C)noc2C)c1 Homo sapiens CHEMBL1647978 single protein format
CHEMBL2180905 OBDepict F S N O O O CH 3 N S O O F F F IC50 = 560.0 nM 548.58 CS(=O)(=O)c1ccc(F)cc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2187793 cell-based format
CHEMBL67766 OBDepict H 3 C CH 3 N H N H O H 3 C H HN O Cl CH 3 CH 3 H 3 C O O IC50 = 560.0 nM 592.18 CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccccc1Cl Homo sapiens CHEMBL751984 cell-based format
CHEMBL268157 OBDepict O N S N F F F IC50 = 560.0 nM 392.45 O=C1CSC(c2cccnc2-c2ccc(C(F)(F)F)cc2)N1C1CCCC1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL2030603 OBDepict CH 3 O Cl Cl NH O O O HO IC50 = 580.0 nM 460.31 COc1c(Cl)cc(C2C(C(=O)O)=CNC=C2C(=O)OC/C=C/c2ccccc2)cc1Cl Homo sapiens CHEMBL2032639 cell-based format
CHEMBL234490 OBDepict H 3 C CH 3 N O S N Cl IC50 = 580.0 nM 346.88 CC(C)CN1C(=O)CSC1c1ccncc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL334438 OBDepict CH 3 CH 3 N H H N H O N O H NH O H 3 C H 3 C CH 3 O O IC50 = 590.0 nM 578.75 CC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C Homo sapiens CHEMBL752911 cell-based format
CHEMBL234914 OBDepict CH 3 H 3 C N O S N H 3 C IC50 = 590.0 nM 326.47 Cc1ccc(-c2cnccc2C2SCC(=O)N2CC(C)C)cc1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL172239 OBDepict O NH N H H S O H N S O O + N O _ O H 3 C CH 3 H 3 C IC50 = 600.0 nM 566.75 CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL245171 OBDepict H 3 C CH 3 N O S N Cl IC50 = 600.0 nM 346.88 CC(C)CN1C(=O)CSC1c1cnccc1-c1ccc(Cl)cc1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL1643713 OBDepict CH 3 O O H 3 C CH 3 N CH 3 H O O OH H 3 C H 3 C CH 3 CH 3 CH 3 IC50 = 600.0 nM 493.64 CCOC(=O)C(C)(C)c1ccc2c(c1)c([C@H](C)CO)c(-c1cc(C)cc(C)c1)n2C(=O)OC(C)(C)C Homo sapiens CHEMBL1647978 single protein format
CHEMBL366590 OBDepict O NH HN H S O H N S O O N H 3 C H 3 C H 3 C H 3 C CH 3 IC50 = 610.0 nM 564.82 CN(C)c1ccc(CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL173121 OBDepict H 3 C O O O HN H S O O CH 3 CH 3 H 3 C IC50 = 610.0 nM 437.6 COc1ccc(COC(=O)[C@H](CSCC2CCCCC2)NC(=O)OC(C)(C)C)cc1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL232032 OBDepict Br N S N O IC50 = 630.0 nM 403.35 O=C1CSC(c2cnccc2-c2ccc(Br)cc2)N1C1CCCC1 Homo sapiens CHEMBL891341 cell-based format
CHEMBL431324 OBDepict CH 3 O NH O HN H S O O CH 3 CH 3 H 3 C IC50 = 640.0 nM 422.59 COc1ccc(CNC(=O)[C@H](CSCC2CCCC2)NC(=O)OC(C)(C)C)cc1 Homo sapiens CHEMBL751985 cell-based format
CHEMBL2180902 OBDepict O N S O O CH 3 N S O O F F F IC50 = 660.0 nM 530.59 CS(=O)(=O)c1ccccc1C(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 Homo sapiens CHEMBL2187793 cell-based format