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P50750 | CDK9_HUMAN | Cyclin-dependent kinase 9 (CDK9)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL3694408 OBDepict CH 3 O N F N HN O O N Cl IC50 = 0.005 nM 388.79 COc1ccc(F)cc1-c1cc(NC(=O)COc2ccc(Cl)cn2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL3694406 OBDepict H 3 C O N F N N H O N IC50 = 0.015 nM 338.34 COc1ccc(F)cc1-c1cc(NC(=O)Cc2cccnc2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL3694400 OBDepict H 3 C O N F N N H O HN IC50 = 0.018 nM 330.36 COc1ccc(F)cc1-c1cc(NC(=O)C2CCCNC2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL3694402 OBDepict H 3 C O N N N H O HN O IC50 = 0.019 nM 326.36 COc1ccccc1-c1cc(NC(=O)C2CCC(=O)NC2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL3694407 OBDepict H 3 C O N F N N H O N IC50 = 0.029 nM 338.34 COc1ccc(F)cc1-c1cc(NC(=O)Cc2ccncc2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL3694401 OBDepict H 3 C O F N N N H O HN IC50 = 0.039 nM 330.36 COc1cccc(F)c1-c1cc(NC(=O)C2CCCNC2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL3694404 OBDepict H 3 C O N N NH O N H H 3 C S O O CH 3 IC50 = 0.116 nM 412.47 COc1ccccc1-c1cc(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL4777844 OBDepict CH 3 N CH 3 N O NH O N S S N O CH 3 H 3 C CH 3 IC50 = 0.495 nM 491.68 CN(C)C/C=C/C(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1 Homo sapiens CHEMBL4739785 single protein format
CHEMBL3694405 OBDepict H 3 C O N N NH O N H S O O CH 3 IC50 = 1.08 nM 398.44 COc1ccccc1-c1cc(NC(=O)c2cccc(NS(C)(=O)=O)c2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL3694403 OBDepict CH 3 O N N N H O N H S O O CH 3 IC50 = 1.25 nM 398.44 COc1ccccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL393525 OBDepict Br N N N N S H 3 C O O CH 3 + N O _ O IC50 = 1.4 nM 452.29 Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnc2ccc(Br)cn12 Homo sapiens CHEMBL3856509 single protein format
CHEMBL4644893 OBDepict CH 2 N H O N O N H O N S S N O CH 3 CH 3 H 3 C IC50 = 1.79 nM 553.71 C=CC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1 Homo sapiens CHEMBL4739785 single protein format
CHEMBL4079206 OBDepict H 3 C N H OH H HO O OH O Cl Cl IC50 = 1.9 nM 462.33 CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(/C=C/c4c(Cl)cccc4Cl)oc23)[C@H](O)C1 Homo sapiens CHEMBL4370707 single protein format
CHEMBL3673540 OBDepict F N H N F F N N H N H IC50 = 2.0 nM 437.47 Fc1cccc(CNc2nc(-c3ccnc4[nH]c(C5CCNCC5)cc34)c(F)cc2F)c1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3673542 OBDepict OH N O N H N N N O F IC50 = 2.0 nM 459.48 O=C(CO)N1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3673541 OBDepict CH 3 N H N O N H N N N O F IC50 = 2.0 nM 458.5 CNC(=O)N1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3979266 OBDepict N N S O CH 3 NH F N N F O CH 3 F IC50 = 2.0 nM 461.47 CCS(=O)(Cc1cc(F)cc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1)=NC#N Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3959283 OBDepict N N S O CH 3 N H N N F O CH 3 F IC50 = 2.0 nM 443.48 CCS(=O)(Cc1cccc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1)=NC#N Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3905335 OBDepict CH 3 O F N F N N H S F F F O HN CH 3 IC50 = 2.0 nM 472.44 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(C(F)(F)F)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3944304 OBDepict N N S O HN N N F O CH 3 F IC50 = 2.0 nM 455.49 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(=O)(=NC#N)C3CC3)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3973367 OBDepict N N S O CH 3 F N H F N N F O CH 3 F IC50 = 2.0 nM 465.43 COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=O)=NC#N)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3946675 OBDepict CH 3 O F N F N N H Br S O HN CH 3 IC50 = 2.0 nM 483.34 COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=N)=O)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL424696 OBDepict O N N S N N H N IC50 = 2.5 nM 353.45 c1ccc(Nc2ncc(-c3ccnc(OC4CCCCC4)n3)s2)nc1 Homo sapiens CHEMBL870945 single protein format
CHEMBL4777981 OBDepict CH 3 O F F N N H N H H O OH IC50 = 2.6 nM 467.52 COc1ccc(F)cc1-c1c(F)cnc2[nH]c(C3=CCN([C@H]4CC[C@H](C(=O)O)CC4)CC3)cc12 Homo sapiens CHEMBL4701442 single protein format
CHEMBL428690 OBDepict CH 3 N H HO H OH O OH O Cl Ki = 3.0 nM 401.85 CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 Homo sapiens CHEMBL2321003 single protein format
CHEMBL3960348 OBDepict N N S O CH 3 N H N N F O CH 3 F IC50 = 3.0 nM 429.45 COc1cc(F)ccc1-c1nc(Nc2cccc(CS(C)(=O)=NC#N)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3960677 OBDepict CH 3 O HN S N N O NH CH 3 F O CH 3 F IC50 = 3.0 nM 434.47 COc1cc(CS(C)(=N)=O)cc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL4756595 OBDepict CH 3 O F F N N H N S O HN CH 3 IC50 = 3.0 nM 404.44 COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=N)=O)ccn2)ncc1F Homo sapiens CHEMBL4701389 single protein format
CHEMBL1944698 OBDepict H 3 C N N H O N N IC50 = 3.0 nM 372.47 CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 Homo sapiens CHEMBL3856553 single protein format
CHEMBL3953160 OBDepict N N S O CH 3 N H CH 3 N N F O CH 3 F IC50 = 3.0 nM 443.48 COc1cc(F)ccc1-c1nc(Nc2cc(C)cc(CS(C)(=O)=NC#N)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3932396 OBDepict H 3 C O O N O S O CH 3 F N H N N F O H 3 C F IC50 = 3.0 nM 524.52 COCCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3673434 OBDepict H 3 C O F N N H O H H NH O H 3 C IC50 = 3.0 nM 385.44 COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@@H](NC(C)=O)C2)c1 Homo sapiens CHEMBL3707939 single protein format
CHEMBL4641226 OBDepict CH 2 N O NH O N S S N O CH 3 H 3 C CH 3 IC50 = 3.16 nM 434.59 C=CC(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1 Homo sapiens CHEMBL4739785 single protein format
CHEMBL296468 OBDepict O N H N S HN S N O CH 3 CH 3 H 3 C Ki = 4.0 nM 380.54 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Homo sapiens CHEMBL2321003 single protein format
CHEMBL298445 OBDepict NH 2 N S CH 3 N N N H + N O _ O Ki = 4.0 nM 328.36 Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1 Homo sapiens CHEMBL1119484 single protein format
CHEMBL3967588 OBDepict N N S O CH 3 N H Cl N N F O CH 3 F IC50 = 4.0 nM 463.9 COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=O)=NC#N)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3934141 OBDepict N N S O CH 3 NH O CH 3 N N F O CH 3 F IC50 = 4.0 nM 459.48 COc1cc(CS(C)(=O)=NC#N)cc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3937866 OBDepict N N S O CH 3 N H F F F N N F O CH 3 F IC50 = 4.0 nM 497.45 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=O)=NC#N)cc(C(F)(F)F)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3919796 OBDepict N N S O CH 3 N H Br N N F O CH 3 F IC50 = 4.0 nM 508.35 COc1cc(F)ccc1-c1nc(Nc2cc(Br)cc(CS(C)(=O)=NC#N)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL4082469 OBDepict CH 3 S S S O NH 2 N IC50 = 4.0 nM 282.42 CSc1sc(C(N)=O)c2c1-c1sncc1CC2 Homo sapiens CHEMBL4029555 single protein format
CHEMBL3897217 OBDepict CH 3 O F N F N N H F F S O HN CH 3 IC50 = 4.0 nM 440.42 COc1cc(F)ccc1-c1nc(Nc2cc(F)c(F)c(CS(C)(=N)=O)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL4292930 OBDepict OH H N N N H N N H 3 C + N _ O IC50 = 4.0 nM 382.47 Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@@H]3CCO)nc12 Homo sapiens CHEMBL4271332 cell-based format
CHEMBL3668457 OBDepict HO HO N N H N O F H 3 C IC50 = 4.0 nM 397.45 COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(O)CO)CC3)cc12 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3892881 OBDepict F O N F N N H F S O NH CH 3 IC50 = 5.0 nM 498.53 CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(-c3ccc(F)cc3OCc3ccc(F)cc3)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3673503 OBDepict F F NH N N N N H N H IC50 = 5.0 nM 420.47 Fc1cc(F)cc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3976450 OBDepict CH 3 O F N F N N H S O NH CH 3 IC50 = 5.0 nM 418.47 CCS(=N)(=O)Cc1cccc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3673501 OBDepict H N N HN N N N H IC50 = 5.0 nM 384.49 c1ccc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3962241 OBDepict CH 3 O F N F N N H F S O HN CH 3 IC50 = 5.0 nM 422.43 COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL4761602 OBDepict H 2 N N S O H + N O _ O IC50 = 5.0 nM 357.44 Nc1nc(C[C@H]2CC3CCC2C3)sc1C(=O)c1ccccc1[N+](=O)[O-] Homo sapiens CHEMBL4701389 single protein format
CHEMBL3923419 OBDepict H 3 C O F N F N N H F S N O CH 3 N IC50 = 5.0 nM 461.47 CCOc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=O)=NC#N)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL4442620 OBDepict H HO CH 3 O CH 3 H N N N H F F F S O NH IC50 = 5.0 nM 430.45 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F Homo sapiens CHEMBL4701389 single protein format
CHEMBL4741442 OBDepict OH N H H 3 C H N Br N N H S O O NH 2 IC50 = 5.0 nM 402.27 C[C@H](CO)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1Br Homo sapiens CHEMBL4701389 single protein format
CHEMBL3981911 OBDepict CH 3 O F N F N N H Cl S O HN CH 3 IC50 = 5.0 nM 438.89 COc1cc(F)ccc1-c1nc(Nc2cc(Cl)cc(CS(C)(=N)=O)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL4755696 OBDepict NH 2 N N N H N N CH 3 CH 3 H 3 C H H 3 C O IC50 = 5.9 nM 402.5 CC(C)N1c2cc(Nc3nccc(-c4cccc(N)c4)n3)ccc2N(C)C(=O)[C@H]1C Homo sapiens CHEMBL4728482 single protein format
CHEMBL1083152 OBDepict CH 3 O O N H CH 3 O CH 3 N N S CH 3 N N H CH 3 Ki = 6.0 nM 387.47 CNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1 Homo sapiens CHEMBL1119484 single protein format
CHEMBL3912866 OBDepict CH 3 O F N F N N H S F F F F F O HN CH 3 IC50 = 6.0 nM 522.45 COc1cc(F)ccc1-c1nc(Nc2cc(CS(C)(=N)=O)cc(C(F)(F)C(F)(F)F)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3917892 OBDepict CH 3 O F N F N N H F S O NH CH 3 IC50 = 6.0 nM 436.46 CCS(=N)(=O)Cc1cc(F)cc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3949630 OBDepict N N S O HN F N N F O CH 3 F IC50 = 6.0 nM 473.48 COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(=O)(=NC#N)C3CC3)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3673545 OBDepict HO N O N H N N F N H F F IC50 = 6.0 nM 495.51 O=C(CO)N1CCC(c2cc3c(-c4nc(NCc5cccc(F)c5)c(F)cc4F)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3959867 OBDepict H 3 C O F N F N N H F S O HN CH 3 IC50 = 6.0 nM 436.46 CCOc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(C)(=N)=O)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL4448572 OBDepict H 3 C O N H N H O N N H O S O O F F IC50 = 6.0 nM 426.4 COCCNC(=O)Nc1nc2cc(OS(=O)(=O)c3c(F)cccc3F)ccc2[nH]1 Homo sapiens CHEMBL4426791 single protein format
CHEMBL3916775 OBDepict CH 3 HN N O S O CH 3 N H N N F O H 3 C F IC50 = 7.0 nM 461.49 CNC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3673532 OBDepict F O N N N N H N H IC50 = 7.0 nM 401.45 Fc1cccc(COc2cncc(-c3ccnc4[nH]c(C5=CCNCC5)cc34)n2)c1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3668473 OBDepict F NH N Cl N N H N H IC50 = 8.0 nM 435.93 Fc1cccc(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCCNC5)cc34)n2)c1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3978185 OBDepict F N N N H O S O NH CH 3 IC50 = 8.0 nM 412.49 CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(-c3cccc4c3OCCC4)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3934755 OBDepict H 3 C O N O S O CH 3 N H F N N F O H 3 C F IC50 = 8.0 nM 494.5 CCOC(=O)N=S(C)(=O)Cc1cc(F)cc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3673539 OBDepict F O N N N N H N S O O CH 3 IC50 = 8.0 nM 479.54 CS(=O)(=O)N1CC=C(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3906489 OBDepict H 3 C O N O S O CH 3 N H N N F O H 3 C F IC50 = 8.0 nM 476.51 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(-c3ccc(F)cc3OC)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3668461 OBDepict CH 3 N N H N F NH S O O CH 3 IC50 = 8.0 nM 492.62 CN1CCC(c2cc3c(-c4cc(NCc5ccc(S(C)(=O)=O)cc5)ccc4F)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL4756353 OBDepict CH 3 N H 3 C NH O NH O N S S N O CH 3 H 3 C CH 3 IC50 = 8.9 nM 499.66 CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)cc1 Homo sapiens CHEMBL4739785 single protein format
CHEMBL1084715 OBDepict H 3 C NH N S CH 3 N N N H HN O H 3 C Ki = 9.0 nM 382.49 CCNc1nc(C)c(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)s1 Homo sapiens CHEMBL1119484 single protein format
CHEMBL3673530 OBDepict F NH N N N N H N H IC50 = 9.0 nM 400.46 Fc1cccc(CNc2cncc(-c3ccnc4[nH]c(C5=CCNCC5)cc34)n2)c1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3673494 OBDepict NH 2 N H N N N H F IC50 = 9.0 nM 415.52 NC1CCCC(c2cc3c(-c4cccc(NCc5cccc(F)c5)n4)ccnc3[nH]2)C1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3673538 OBDepict OH N O N H N N N N H F IC50 = 9.0 nM 458.5 O=C(CO)N1CC=C(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3972796 OBDepict CH 3 O N O S O CH 3 N H N N F O IC50 = 9.0 nM 470.53 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(-c3cccc4c3OCC4)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL258721 OBDepict HO O N N H N O N CH 3 H 3 C Cl Cl IC50 = 9.0 nM 473.36 CC(C)c1nn(-c2c(Cl)cccc2Cl)c2nc(Cc3ccc(OCCO)cc3)[nH]c(=O)c12 Homo sapiens CHEMBL936787 single protein format
CHEMBL3900262 OBDepict H 3 C O N O S O CH 3 N H N N F O F IC50 = 9.0 nM 552.6 CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(-c3ccc(F)cc3OCc3ccccc3)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3927078 OBDepict F O N F N N H S O NH CH 3 IC50 = 9.0 nM 480.54 CS(=N)(=O)Cc1cccc(Nc2ncc(F)c(-c3ccc(F)cc3OCc3ccccc3)n2)c1 Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3934257 OBDepict H 3 C O F N F N NH F S O NH IC50 = 9.0 nM 448.47 COc1cc(F)ccc1-c1nc(Nc2cc(F)cc(CS(=N)(=O)C3CC3)c2)ncc1F Homo sapiens CHEMBL3887262 cell-based format
CHEMBL3673507 OBDepict F F NH N N N N H N H IC50 = 9.0 nM 420.47 Fc1ccc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1F Homo sapiens CHEMBL3706310 single protein format
CHEMBL445813 OBDepict H N N NH HN O O Cl Cl NH IC50 = 10.0 nM 382.25 O=C(NC1CCNCC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl Homo sapiens CHEMBL4271327 single protein format
CHEMBL3663778 OBDepict F N NH N Cl N N H N H IC50 = 10.0 nM 436.92 Fc1cncc(CNc2ccc(Cl)c(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL4294976 OBDepict CH 3 O N H N CH 3 N N H N NH 2 IC50 = 10.0 nM 374.45 CCOc1ccccc1CNc1nc(C)nc2[nH]cc(-c3ccnc(N)c3)c12 Homo sapiens CHEMBL4266675 assay format
CHEMBL3673512 OBDepict CH 3 N N H N N N N H IC50 = 10.0 nM 398.51 CN1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3694399 OBDepict CH 3 O N N N CH 3 O H HN IC50 = 10.0 nM 326.4 COc1ccccc1-c1cc(N(C)C(=O)[C@@H]2CCCNC2)ncn1 Homo sapiens CHEMBL3706262 single protein format
CHEMBL4752748 OBDepict H 3 C NH O H H N H O N F N N CH 3 H 3 C IC50 = 10.0 nM 427.52 CC(=O)N[C@@H]1CCC[C@H](C(=O)Nc2cc(-c3cnn4c3CC(C)(C)CC4)c(F)cn2)C1 Homo sapiens CHEMBL4678925 cell-based format
CHEMBL3668361 OBDepict CH 3 O F N N H N H IC50 = 10.0 nM 323.37 COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCNCC3)cc12 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3673435 OBDepict CH 3 O F N HN O HN O H 3 C IC50 = 10.0 nM 371.41 COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(NC(C)=O)C2)c1 Homo sapiens CHEMBL3707939 single protein format
CHEMBL3673544 OBDepict H 3 C N H N O N H N N F N H F F IC50 = 10.0 nM 494.52 CNC(=O)N1CCC(c2cc3c(-c4nc(NCc5cccc(F)c5)c(F)cc4F)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3673504 OBDepict F HN N N N N H N H IC50 = 10.0 nM 402.48 Fc1cccc(CNc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL4786429 OBDepict H 3 C N CH 3 NH O HN O N S S N O H 3 C CH 3 H 3 C IC50 = 10.7 nM 499.66 CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1 Homo sapiens CHEMBL4739785 single protein format
CHEMBL1083151 OBDepict CH 3 O O NH CH 3 O CH 3 N N S CH 3 N H 3 C Ki = 11.0 nM 372.45 COc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC Homo sapiens CHEMBL1119484 single protein format
CHEMBL3673523 OBDepict OH HO N N H N N N O F IC50 = 11.0 nM 477.54 OCC(O)CN1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3673509 OBDepict OH N O N H N N N N H F IC50 = 11.0 nM 460.51 O=C(CO)N1CCC(c2cc3c(-c4cncc(NCc5cccc(F)c5)n4)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3668476 OBDepict F N H N N H N H IC50 = 11.0 nM 400.5 Fc1ccc(NCc2ccccc2)cc1-c1ccnc2[nH]c(C3CCCNC3)cc12 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3663759 OBDepict CH 3 O F N N H N H IC50 = 11.0 nM 325.39 COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCNCC3)cc12 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3673547 OBDepict CH 3 N H O N H N N N N H IC50 = 11.0 nM 438.54 CNC(=O)C1CC=C(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3673517 OBDepict F O N N N N H N H IC50 = 12.0 nM 403.46 Fc1cccc(COc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3668375 OBDepict CH 3 N N H N N N H F F IC50 = 12.0 nM 433.51 CN1CCC(c2cc3c(-c4cccc(NCc5c(F)cccc5F)n4)ccnc3[nH]2)CC1 Homo sapiens CHEMBL3706310 single protein format
CHEMBL3668418 OBDepict H 3 C O F N N H HN IC50 = 12.0 nM 297.33 COc1ccc(F)cc1-c1ccnc2[nH]c(C3CNC3)cc12 Homo sapiens CHEMBL3706310 single protein format