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O60885 | BRD4_HUMAN | Bromodomain-containing protein 4 (BRD4)

3D structures mapped by conservation among orthologs

[ Domain: "Bromodomain-containing protein 4 ET domain" // BET ]

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[ Domain: "Bromodomain" // Bromodomain ]

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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
CHEMBL3898684 OBDepict CH 3 S N H O O O N H 3 C N O H Ki = 0.39 nM 423.49 CCS(=O)(=O)Nc1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4077038 OBDepict HO O O H N N N N CH 3 S H 3 C CH 3 Cl IC50 = 0.43 nM 501.05 Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)OCCCCCCO)c1nnc(C)n1-2 Homo sapiens CHEMBL4368946 assay format
CHEMBL4068487 OBDepict CH 3 N H O N O N F F H 3 C O H 3 C IC50 < 0.5 nM 451.47 CCNC(=O)CC1N=C(c2c(F)cccc2F)c2cc(OC)ccc2-c2cn(C)c(=O)cc21 Homo sapiens CHEMBL4043416 single protein format
CHEMBL4166630 OBDepict H 3 C O N H 3 C N H 3 C O H N HN N CH 3 N N CH 3 H 3 C H 3 C Ki = 0.5 nM 445.53 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C)nn3C(C)C)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4555714 OBDepict F H 3 C CH 3 O N HO H 3 C CH 3 CH 3 N O H N H O Ki = 0.5 nM 503.57 Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC3CC3)cc12 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4435166 OBDepict CH 3 N H O N H O N CH 3 O NH O CH 3 CH 3 CH 3 Ki = 0.5 nM 472.55 CCNC(=O)c1cc2c(-c3cc(NC(C)=O)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL3926639 OBDepict H N O N CH 3 O N H S O O F F F O Ki = 0.5 nM 485.48 Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC2CCCOC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL4548794 OBDepict CH 3 N H O N H O N CH 3 O S O O H 3 C Cl Ki = 0.5 nM 514.0 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3ccccc3Cl)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4465299 OBDepict H 3 C N H O N H O N CH 3 N S O O H 3 C H 3 C Ki = 0.5 nM 518.64 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3N3CCc4cccc(C)c43)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL3928904 OBDepict CH 3 S N H O O O N H 3 C N O O H Ki = 0.52 nM 431.51 CCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4564879 OBDepict H 3 C NH O N H O N CH 3 O S O O CH 3 H 3 C Ki = 0.6 nM 519.62 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)C4CC4)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4467038 OBDepict H 3 C N H O N H O N CH 3 O OH H 3 C H 3 C H 3 C CH 3 Ki = 0.6 nM 473.57 CCNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4846895 OBDepict F N N H N F O N HO H 3 C CH 3 H 3 C N N D D D IC50 = 0.6 nM 535.61 [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)c(F)c3n([C@H](c3ncccc3F)C3CCOCC3)c2c1 Homo sapiens CHEMBL4809560 single protein format
CHEMBL4078267 OBDepict CH 3 N H O N H O S N O O CH 3 H 3 C N O H Ki = 0.6 nM 556.64 CC(=O)Nc1ccc(CNc2cccc(Oc3ccc(S(C)(=O)=O)cc3-c3cn(C)c(=O)c4[nH]ccc34)c2)cc1 Homo sapiens CHEMBL4043437 single protein format
CHEMBL4104956 OBDepict CH 3 O N H O N CH 3 O HN S O O H 3 C F F Ki = 0.6 nM 527.55 CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]c(C#CCOC)cc23)c1 Homo sapiens CHEMBL4043437 single protein format
CHEMBL4208129 OBDepict H N O N N H 3 C N S O O CH 3 Ki = 0.62 nM 420.49 Cn1cc2c3c(c[nH]c3c1=O)CN(c1ccccn1)c1ccc(CS(C)(=O)=O)cc1-2 Homo sapiens CHEMBL4194884 single protein format
CHEMBL3910575 OBDepict H N O N CH 3 N HN S O O H 2 N Ki = 0.63 nM 401.49 Cn1cc(-c2cc(S(N)(=O)=O)cnc2NC2CCCCC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL3924615 OBDepict H 3 C S O O O N H H 3 C N O H H HO Ki = 0.69 nM 430.53 CCS(=O)(=O)c1ccc(O[C@H]2CC[C@H](O)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4208405 OBDepict CH 3 O N CH 3 N CH 3 O H N N CH 3 N H Ki = 0.7 nM 423.48 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4ccccc34)c12 Homo sapiens CHEMBL4185405 cell-based format
CHEMBL4174669 OBDepict H 3 C O N H 3 C N H 3 C O H N HN N CH 3 N N CH 3 Ki = 0.7 nM 453.51 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3nn(C)c4ccccc34)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4461291 OBDepict CH 3 N H O N H O N CH 3 O S O O H 3 C CH 3 H 3 C Ki = 0.7 nM 507.61 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3cc(C)cc(C)c3)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4454597 OBDepict CH 3 N H O N H O N CH 3 O S O O H 3 C F F Ki = 0.7 nM 515.54 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3ccc(F)cc3F)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL3785440 OBDepict F N F N N H N O S H 3 C O O CH 3 IC50 = 0.7 nM 456.47 Cn1cc2c3c(c[nH]c3c1=O)CN(c1ncc(F)cc1F)c1ccc(CS(C)(=O)=O)cc1-2 Homo sapiens CHEMBL3791142 single protein format
CHEMBL3904365 OBDepict CH 3 S N H O O O N H 3 C N O H O Ki = 0.72 nM 431.51 CCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3947850 OBDepict CH 3 S N H O O O N H 3 C N O O H Ki = 0.74 nM 417.49 CCS(=O)(=O)Nc1ccc(OC2CCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3942527 OBDepict H N O N CH 3 O N H S O O CH 3 O Ki = 0.75 nM 417.49 Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCOC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL3906254 OBDepict CH 3 O CH 3 O S N O O H 3 C H 3 C N O H Ki = 0.76 nM 458.58 CCS(=O)(=O)c1ccc(OC2CCC(C)(OC)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4529861 OBDepict H 3 C N H O N H O N H 3 C O N H S O O H 3 C H 3 C CH 3 Ki = 0.8 nM 522.63 CCNC(=O)c1cc2c(-c3cc(NS(=O)(=O)CC)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4172277 OBDepict CH 3 O N CH 3 N CH 3 O H N NH N CH 3 N H 3 C N CH 3 Ki = 0.8 nM 417.47 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C)nn3C)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4470856 OBDepict CH 3 N H O N H O N CH 3 O S O O H 3 C CH 3 Ki = 0.8 nM 493.59 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3ccccc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4164015 OBDepict CH 3 O N CH 3 N CH 3 O H N N CH 3 H 3 C N H Ki = 0.8 nM 437.5 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL3939053 OBDepict H 3 C S NH O O O N H 3 C N F O H N F N CH 3 Ki = 0.8 nM 571.65 CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]c(CN4CCN(C)CC4)cc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4068431 OBDepict CH 3 S NH O O N O N O CH 3 F O F Ki = 0.8 nM 491.52 CCS(=O)(=O)Nc1cnc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)cc(F)c1O2 Homo sapiens CHEMBL4051110 assay format
CHEMBL3974497 OBDepict CH 3 O O N H O N CH 3 O N H S O O CH 3 Ki = 0.81 nM 481.53 CCOC(=O)c1cc2c(-c3cc(NS(C)(=O)=O)ccc3Oc3ccccc3)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3979505 OBDepict H N O N CH 3 O S O O H 3 C Ki = 0.83 nM 400.5 Cn1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCCCC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL3911104 OBDepict H N O N CH 3 O HN S O O H 3 C F F Ki = 0.84 nM 451.5 Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCC(F)(F)CC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL3941894 OBDepict H 3 C S NH O O O N H 3 C N F O H N O F N CH 3 Ki = 0.86 nM 585.63 CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]c(C(=O)N4CCN(C)CC4)cc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3907558 OBDepict H 3 C S O O NH N CH 3 N O H Ki = 0.86 nM 385.49 CCS(=O)(=O)c1ccc(NCC2CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4212498 OBDepict F N N H N O S H 3 C O O CH 3 Ki = 0.87 nM 437.5 Cn1cc2c3c(c[nH]c3c1=O)CN(c1ccc(F)cc1)c1ccc(CS(C)(=O)=O)cc1-2 Homo sapiens CHEMBL4194884 single protein format
CHEMBL4217457 OBDepict F F N N H N O S H 3 C O O CH 3 Ki = 0.87 nM 455.49 Cn1cc2c3c(c[nH]c3c1=O)CN(c1ccc(F)cc1F)c1ccc(CS(C)(=O)=O)cc1-2 Homo sapiens CHEMBL4194884 single protein format
CHEMBL3948433 OBDepict H N O N CH 3 O N H S O O CH 3 Ki = 0.88 nM 415.52 Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCCCC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL3945636 OBDepict H 3 C S O O O N CH 3 N O H F F Ki = 0.88 nM 450.51 CCS(=O)(=O)c1ccc(OC2CCC(F)(F)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4214978 OBDepict CH 3 O N CH 3 N CH 3 O H N N CH 3 N H F Ki = 0.9 nM 441.47 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4ccc(F)cc34)c12 Homo sapiens CHEMBL4185405 cell-based format
CHEMBL4560574 OBDepict H 3 C N H O N H O N CH 3 S O O H 3 C N H Ki = 0.9 nM 502.6 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-c3cccc4cc[nH]c34)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4454614 OBDepict CH 3 N H O N H O N CH 3 O S O O H 3 C CH 3 F Ki = 0.9 nM 511.58 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3F)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4469571 OBDepict CH 3 N H O N H O N CH 3 O S O O H 3 C CH 3 Cl Ki = 0.9 nM 528.03 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3Cl)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4848871 OBDepict F N N H N O N HO H 3 C CH 3 H 3 C N N D D D IC50 = 0.9 nM 517.62 [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ncccc3F)C3CCOCC3)c2c1 Homo sapiens CHEMBL4809560 single protein format
CHEMBL4859923 OBDepict F OH H 3 C H 3 C N N H N H 3 C N N O D D D IC50 = 0.9 nM 516.64 [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3cc(F)c(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1 Homo sapiens CHEMBL4809560 single protein format
CHEMBL4075567 OBDepict H 3 C S O O O N O CH 3 O Cl IC50 = 0.93 nM 473.98 CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(Cl)ccc1O2 Homo sapiens CHEMBL4043432 single protein format
CHEMBL3969291 OBDepict H 2 N O N H O N CH 3 O HN S O O H 3 C Ki = 0.98 nM 452.49 Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc(C(N)=O)[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL4434761 OBDepict CH 3 N H O N H O N CH 3 O S O O H 3 C CH 3 Br Ki = 1.0 nM 572.48 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3Br)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4552305 OBDepict CH 3 N H O N H O N CH 3 O HO CH 3 CH 3 CH 3 CH 3 F Ki = 1.0 nM 477.54 CNC(=O)c1cc2c(-c3cc(C(C)(C)O)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4228445 OBDepict CH 3 HN O N N NH N H N N H 3 C O H 3 C CH 3 N CH 3 O Ki = 1.0 nM 500.56 CCn1nc(C2CC2)cc1Nc1nc(C(=O)NC)nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 Homo sapiens CHEMBL4219281 assay format
CHEMBL4173488 OBDepict H 3 C O N H 3 C N CH 3 O H N HN N CH 3 N CH 3 N Ki < 1.0 nM 443.51 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C4CC4)nn3C)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4176849 OBDepict CH 3 O N CH 3 N CH 3 O H N N H N CH 3 N H 3 C N CH 3 CH 3 Ki < 1.0 nM 445.53 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C(C)C)nn3C)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4171109 OBDepict H 3 C O N H 3 C N H 3 C O H N HN N CH 3 N N CH 3 H 3 C H 3 C H 3 C Ki < 1.0 nM 459.55 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C)nn3C(C)(C)C)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4167996 OBDepict H 3 C O N H 3 C N H 3 C O H N HN N CH 3 N N CH 3 Ki < 1.0 nM 471.57 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C)nn3C3CCCC3)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4169068 OBDepict H 3 C O N H 3 C N H 3 C O H N N H N CH 3 N N H 3 C Ki < 1.0 nM 457.54 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3nn(C)c4c3CCCC4)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4161145 OBDepict CH 3 O N CH 3 N CH 3 O H N N H N CH 3 N H 3 C N Ki < 1.0 nM 457.54 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3c4c(nn3C)CCCC4)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL3914034 OBDepict H 3 C O H H O S N O O H 3 C H 3 C N O H Ki = 1.0 nM 444.55 CCS(=O)(=O)c1ccc(O[C@H]2CC[C@H](OC)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4172447 OBDepict CH 3 O N CH 3 N CH 3 O H N NH N CH 3 N H 3 C N Ki < 1.0 nM 443.51 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3c4c(nn3C)CCC4)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4164393 OBDepict HO N N NH N CH 3 N N H O CH 3 H 3 C N CH 3 O Ki = 1.0 nM 483.53 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3nn(CCO)c4ccccc34)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4864173 OBDepict Cl N N H N O N HO H 3 C CH 3 H 3 C N N D D D IC50 = 1.0 nM 534.08 [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3ccc(Cl)cn3)C3CCOCC3)c2c1 Homo sapiens CHEMBL4809560 single protein format
CHEMBL3930178 OBDepict H 3 C NH CH 3 N N N N N N H 3 C N N N F O IC50 = 1.0 nM 502.56 Cc1nnc2c(NC(C)C)nc(-c3nc4cnc(N5CCOCC5)cc4n3Cc3ccc(F)cn3)cn12 Homo sapiens CHEMBL4480295 single protein format
CHEMBL3786682 OBDepict CH 3 N O N H N S N O O CH 3 IC50 = 1.0 nM 420.49 Cn1cc2c3c(c[nH]c(=O)c31)CN(c1ccccn1)c1ccc(CS(C)(=O)=O)cc1-2 Homo sapiens CHEMBL3791143 single protein format
CHEMBL4208405 OBDepict CH 3 O N CH 3 N CH 3 O H N N CH 3 N H IC50 = 1.1 nM 423.48 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)[nH]c4ccccc34)c12 Homo sapiens CHEMBL4185410 cell-based format
CHEMBL4466931 OBDepict H 3 C HN O N H O N CH 3 O HN S O O H 3 C CH 3 H 3 C F Ki = 1.1 nM 540.62 CCNC(=O)c1cc2c(-c3cc(NS(=O)(=O)CC)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4462804 OBDepict CH 3 N H O N H O N CH 3 O S O O H 3 C CH 3 CH 3 Ki = 1.1 nM 507.61 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4443563 OBDepict H 3 C N H O N H O N CH 3 N S O O H 3 C H 3 C Ki = 1.1 nM 516.62 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3-n3ccc4cccc(C)c43)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4587188 OBDepict CH 3 NH O N H O N CH 3 O OH O H 3 C H 3 C F Ki = 1.1 nM 505.55 CCNC(=O)c1cc2c(-c3cc(C4(O)COC4)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4471851 OBDepict H 3 C N H O N H O N CH 3 O S O O H 2 N H 3 C CH 3 Ki = 1.1 nM 494.57 CCNC(=O)c1cc2c(-c3cc(S(N)(=O)=O)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL3926000 OBDepict H N O N CH 3 O N H S O O CH 3 O Ki = 1.1 nM 417.49 Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL3953827 OBDepict H N O N CH 3 NH S O O NH 2 Ki = 1.1 nM 372.45 Cn1cc(-c2cc(S(N)(=O)=O)ccc2NCC2CC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL4209113 OBDepict CH 3 O N CH 3 N CH 3 O H N N N H Ki = 1.1 nM 409.45 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c[nH]c4ccccc34)c12 Homo sapiens CHEMBL4185410 cell-based format
CHEMBL4863199 OBDepict CH 3 O N N H N O N OH H 3 C H 3 C CH 3 N N D D D IC50 = 1.2 nM 503.62 [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n([C@H](c3cc(C)on3)C3CCOCC3)c2c1 Homo sapiens CHEMBL4809560 single protein format
CHEMBL3927729 OBDepict H 3 C S O O O N CH 3 N O H S Ki = 1.2 nM 432.57 CCS(=O)(=O)c1ccc(OC2CCSCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3939648 OBDepict H N O N CH 3 O S N O O H 3 C H 3 C Ki = 1.2 nM 401.49 CN(C)S(=O)(=O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3889757 OBDepict H N O N CH 3 N O N H S O O CH 3 Ki = 1.2 nM 410.46 Cn1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL4162784 OBDepict CH 3 O N CH 3 N CH 3 O H N NH N CH 3 N H 3 C N CH 3 CH 3 H 3 C Ki = 1.2 nM 459.55 COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(C(C)(C)C)nn3C)c12 Homo sapiens CHEMBL4150992 cell-based format
CHEMBL4455576 OBDepict CH 3 N H O N H O N H 3 C O OH CH 3 CH 3 O F Ki = 1.2 nM 533.6 CCNC(=O)c1cc2c(-c3cc(C4(O)CCOCC4)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL3943316 OBDepict H 3 C S NH O O O N H 3 C N O H F F Ki = 1.2 nM 465.52 CCS(=O)(=O)Nc1ccc(OC2CCC(F)(F)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4483338 OBDepict H 3 C N H O N H O N CH 3 O S O O H 3 C H 3 C CH 3 Ki = 1.2 nM 493.59 CCNC(=O)c1cc2c(-c3cc(S(C)(=O)=O)ccc3Oc3c(C)cccc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4105618 OBDepict H 3 C S O O O N O CH 3 F O F IC50 = 1.3 nM 475.51 CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)cc(F)c1O2 Homo sapiens CHEMBL4043432 single protein format
CHEMBL4589568 OBDepict CH 3 N H O N H O N CH 3 O S O O H 3 C CH 3 CH 3 F Ki = 1.3 nM 525.6 CCNC(=O)c1cc2c(-c3cc(S(=O)(=O)CC)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL4443056 OBDepict H 3 C S NH O O O N H 3 C N F O H F N CH 3 H 3 C Ki = 1.3 nM 540.59 CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]c(C#CCN(C)C)cc23)c1 Homo sapiens CHEMBL4368967 single protein format
CHEMBL4452278 OBDepict F CH 3 CH 3 O N OH H 3 C H 3 C CH 3 N O H N H O Ki = 1.3 nM 529.61 Cc1cc(F)cc(C)c1Oc1ccc(C(C)(C)O)cc1-c1cn(C)c(=O)c2[nH]c(C(=O)NC34CC(C3)C4)cc12 Homo sapiens CHEMBL4346334 cell-based format
CHEMBL3897399 OBDepict CH 3 S N H O O O N H 3 C N O O H Ki = 1.3 nM 445.54 CCCS(=O)(=O)Nc1ccc(OC2CCCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3949456 OBDepict H 3 C S O O O N CH 3 N O H Ki = 1.3 nM 386.47 CCS(=O)(=O)c1ccc(OCC2CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4869203 OBDepict CH 3 O N N H N O N F OH H 3 C H 3 C CH 3 N N D D D IC50 = 1.4 nM 521.61 [2H]C([2H])([2H])c1nnn(C)c1-c1cnc2c3cc(F)c(C(C)(C)O)cc3n([C@H](c3cc(C)on3)C3CCOCC3)c2c1 Homo sapiens CHEMBL4809560 single protein format
CHEMBL3906371 OBDepict H N O N CH 3 O N H S O O F F F O Ki = 1.4 nM 485.48 Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC2CCOCC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL3898595 OBDepict CH 3 HN S N H O O O N H 3 C N O O H Ki = 1.4 nM 432.5 CNS(=O)(=O)Nc1ccc(OC2CCCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3895660 OBDepict H 3 C S O O O N CH 3 N O H H 3 C HO Ki = 1.4 nM 444.55 CCS(=O)(=O)c1ccc(OC2CCC(C)(O)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3970220 OBDepict H N O N CH 3 O N H S O O CH 3 Ki = 1.4 nM 409.47 Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL4212498 OBDepict F N N H N O S H 3 C O O CH 3 IC50 = 1.5 nM 437.5 Cn1cc2c3c(c[nH]c3c1=O)CN(c1ccc(F)cc1)c1ccc(CS(C)(=O)=O)cc1-2 Homo sapiens CHEMBL4194886 cell-based format
CHEMBL3914979 OBDepict H N O N CH 3 O S O O NH 2 Ki = 1.5 nM 373.43 Cn1cc(-c2cc(S(N)(=O)=O)ccc2OCC2CC2)c2cc[nH]c2c1=O Homo sapiens CHEMBL3888267 single protein format
CHEMBL4099010 OBDepict CH 3 S NH O O O N O CH 3 F O F Ki = 1.5 nM 490.53 CCS(=O)(=O)Nc1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)cc(F)c1O2 Homo sapiens CHEMBL4051110 assay format
CHEMBL3978548 OBDepict H 3 C S O O O N CH 3 N O H O O Ki = 1.5 nM 472.56 CCS(=O)(=O)c1ccc(OC2CCC3(CC2)OCCO3)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3943834 OBDepict H N O N CH 3 NH S O O H 3 C H 3 C Ki = 1.5 nM 399.52 CC(C)S(=O)(=O)c1ccc(NCC2CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL3945077 OBDepict CH 3 N H O N H O N CH 3 O N H S O O CH 3 Ki = 1.5 nM 480.55 CCNC(=O)c1cc2c(-c3cc(NS(C)(=O)=O)ccc3Oc3ccccc3)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL3888267 single protein format
CHEMBL4464739 OBDepict CH 3 NH O N H O N CH 3 O OH H 3 C H 3 C F Ki = 1.5 nM 503.57 CCNC(=O)c1cc2c(-c3cc(C4(O)CCC4)ccc3Oc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1 Homo sapiens CHEMBL4346334 cell-based format