HOME LIGAND hPROTEOME OTHERS DOCUMENT

P50613 | CDK7_HUMAN | Cyclin-dependent kinase 7 (CDK7)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

download pymol session



[ 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
CHEMBL4562323 OBDepict H 3 C CH 3 N N N O N N H N H N N IC50 = 0.13 nM 432.53 CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12 Homo sapiens CHEMBL4403338 single protein format
CHEMBL3932121 OBDepict CH 3 N O S CH 3 N N N H N HN Ki = 2.3 nM 382.49 Cc1c(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)sc(=O)n1C Homo sapiens CHEMBL3856502 single protein format
CHEMBL3603847 OBDepict H 3 C N CH 3 NH O HN O N H N N Cl N H IC50 = 3.2 nM 566.07 CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1 Homo sapiens CHEMBL3606990 single protein format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 4.1 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479705 assay format
CHEMBL4454044 OBDepict CH 3 N O N N N H N N H 3 C CH 3 N H 3 C CH 3 IC50 < 5.0 nM 423.57 CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12 Homo sapiens CHEMBL4403338 single protein format
CHEMBL4552441 OBDepict H 3 C CH 3 N N N O N N H N H N N H IC50 < 5.0 nM 406.49 CC(C)c1cnn2c(NCc3cccc4[nH]ncc34)nc(OC3CCCNC3)nc12 Homo sapiens CHEMBL4403338 single protein format
CHEMBL4440386 OBDepict CH 3 H 3 C N N N O N N H N H N N H 3 C IC50 < 5.0 nM 420.52 CC(C)c1cnn2c(NCc3cccc4c3cnn4C)nc(OC3CCCNC3)nc12 Homo sapiens CHEMBL4403338 single protein format
CHEMBL4644572 OBDepict CH 3 H 3 C N N N N O N H H N H N N IC50 < 5.0 nM 432.53 CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(O[C@H]3CCCNC3)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL4552628 OBDepict Cl N N N H 3 C S N H O H H H 2 N F F IC50 < 10.0 nM 425.89 Cc1sc(C(=O)N[C@@H]2[C@H](N)CCCC2(F)F)cc1-c1cnn2cc(Cl)cnc12 Homo sapiens CHEMBL4479705 assay format
CHEMBL374413 OBDepict N N H N N H N O IC50 = 11.0 nM 357.42 N#Cc1ccc2c(-c3cc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]c2c1 Homo sapiens CHEMBL855123 single protein format
CHEMBL4784656 OBDepict CH N O N H 3 C N H O N N H IC50 = 12.0 nM 389.46 C#CC(=O)N1CC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)CC1 Homo sapiens CHEMBL4742552 single protein format
CHEMBL4648392 OBDepict CH 2 N H O N H O N H N CH 3 N N O IC50 < 15.0 nM 560.66 C=CC(=O)Nc1ccc(C(=O)Nc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/C=C/CN(C)C3)cc1 Homo sapiens CHEMBL4611854 single protein format
CHEMBL415055 OBDepict H N N N H N S N IC50 = 18.0 nM 413.55 c1cc2[nH]c(-c3n[nH]c4cc(-c5cnsc5)ccc34)cc2cc1CN1CCCCC1 Homo sapiens CHEMBL855123 single protein format
CHEMBL4643708 OBDepict H 3 C CH 3 N N N N H NH OH H OH HN IC50 = 18.0 nM 396.5 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@]3(O)CCNC[C@H]3O)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL4533453 OBDepict Cl N N N H N H H N H IC50 = 20.0 nM 327.82 Clc1cnc(N[C@@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 Homo sapiens CHEMBL4403338 single protein format
CHEMBL4465061 OBDepict Cl N N NH N N H IC50 = 20.0 nM 327.82 Clc1cnc(NC2CCCCC2)nc1-c1c[nH]c2cccnc12 Homo sapiens CHEMBL4403352 single protein format
CHEMBL424696 OBDepict O N N S N N H N IC50 = 20.0 nM 353.45 c1ccc(Nc2ncc(-c3ccnc(OC4CCCCC4)n3)s2)nc1 Homo sapiens CHEMBL870944 single protein format
CHEMBL4474655 OBDepict H N N N N N H F F F H N H IC50 < 20.0 nM 362.36 FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1n[nH]c2ccccc12 Homo sapiens CHEMBL4403352 single protein format
CHEMBL4555799 OBDepict Cl N N N H N H H N H IC50 < 20.0 nM 327.82 Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 Homo sapiens CHEMBL4403338 single protein format
CHEMBL4649721 OBDepict OH HN H N NH N N H 3 C H 3 C N N IC50 = 20.0 nM 487.65 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H](CO)CCCCCCc3cncnc3)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL3823659 OBDepict H 3 C N O N N N H N N Cl N N IC50 = 21.0 nM 436.91 CC(=O)N1CCC(n2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)CC1 Homo sapiens CHEMBL3825311 single protein format
CHEMBL221428 OBDepict H N N N H N N H N O IC50 = 25.0 nM 398.47 c1cc2[nH]c(-c3n[nH]c4cc(-c5cn[nH]c5)ccc34)cc2cc1CN1CCOCC1 Homo sapiens CHEMBL855123 single protein format
CHEMBL4442620 OBDepict H HO CH 3 O CH 3 H N N N H F F F S O NH IC50 = 25.0 nM 430.45 C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F Homo sapiens CHEMBL4701388 single protein format
CHEMBL2013060 OBDepict HN N N N H N S IC50 = 26.0 nM 337.45 c1ccc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cc1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL4637408 OBDepict H 3 C CH 3 N N N N H HN H NH H HO IC50 = 27.0 nM 366.47 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@H]3CNC[C@H]3O)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL4303287 OBDepict CH 3 N H 3 C N H O N H O NH N N Cl N H IC50 = 27.0 nM 566.07 CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)c1 Homo sapiens CHEMBL4403338 single protein format
CHEMBL4639779 OBDepict H 2 N NH N N H N N CH 3 CH 3 F IC50 = 27.0 nM 412.56 CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCCCN)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL4569508 OBDepict O N H S F F F N N N O N IC50 = 30.0 nM 529.59 O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 Homo sapiens CHEMBL4479705 assay format
CHEMBL221479 OBDepict H N N N H N N H N O IC50 = 34.0 nM 398.47 c1cc(-c2ccc3c(-c4cc5cc(CN6CCOCC6)ccc5[nH]4)n[nH]c3c2)[nH]n1 Homo sapiens CHEMBL855123 single protein format
CHEMBL1944698 OBDepict H 3 C N N H O N N IC50 = 37.0 nM 372.47 CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 Homo sapiens CHEMBL4701388 single protein format
CHEMBL220688 OBDepict N N H N N H N N O CH 3 IC50 = 39.0 nM 398.47 CC(=O)N1CCN(Cc2ccc3[nH]c(-c4n[nH]c5cc(C#N)ccc45)cc3c2)CC1 Homo sapiens CHEMBL855123 single protein format
CHEMBL4550702 OBDepict CH 3 N N N N N S NH O F F F IC50 = 53.0 nM 406.39 Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479705 assay 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 = 53.6 nM 499.66 CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)cc1 Homo sapiens CHEMBL4739784 single protein format
CHEMBL374713 OBDepict OH N N N H N H N N H N IC50 = 56.0 nM 427.51 OCc1n[nH]nc1-c1ccc2c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)n[nH]c2c1 Homo sapiens CHEMBL855123 single protein format
CHEMBL220946 OBDepict H N N N H N N N N IC50 = 57.0 nM 397.49 c1cn(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)nn1 Homo sapiens CHEMBL855123 single protein format
CHEMBL4635439 OBDepict CH 3 H 3 C N N N NH N H H N H H HO IC50 = 59.0 nM 380.5 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@@H]3C[C@@H](O)CN3)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL4633156 OBDepict NH 2 NH H HO N N H N N CH 3 H 3 C F IC50 = 60.0 nM 428.56 CC(C)c1cnn2c(NCc3ccccc3F)cc(N[C@@H](CO)CCCCCN)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL296468 OBDepict O N H N S HN S N O CH 3 CH 3 H 3 C IC50 = 62.0 nM 380.54 CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1 Homo sapiens CHEMBL4403338 single protein format
CHEMBL298445 OBDepict NH 2 N S CH 3 N N N H + N O _ O Ki = 70.0 nM 328.36 Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1 Homo sapiens CHEMBL1119483 single protein format
CHEMBL4636757 OBDepict CH 3 N H H OH N HN N N CH 3 H 3 C IC50 = 70.0 nM 353.47 CC[C@H](CO)Nc1cc(NCc2ccccc2)n2ncc(C(C)C)c2n1 Homo sapiens CHEMBL4611854 single protein format
CHEMBL4741442 OBDepict OH N H H 3 C H N Br N N H S O O NH 2 IC50 = 85.0 nM 402.27 C[C@H](CO)Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1Br Homo sapiens CHEMBL4701388 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 = 99.0 nM 553.71 C=CC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1 Homo sapiens CHEMBL4739784 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 = 132.0 nM 491.68 CN(C)C/C=C/C(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1 Homo sapiens CHEMBL4739784 single protein format
CHEMBL1801932 OBDepict NH 2 N H N N H N N CH 3 H 3 C IC50 = 134.0 nM 380.54 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 Homo sapiens CHEMBL3777659 single protein format
CHEMBL4635959 OBDepict H 3 C N CH 3 N O H O N O N H N N CH 3 N H 3 C CH 3 IC50 = 148.0 nM 497.64 Cc1cc(NC2CCN(C(=O)O[C@H]3CCN(C(=O)/C=C/CN(C)C)C3)CC2)n2ncc(C(C)C)c2n1 Homo sapiens CHEMBL4611854 single protein format
CHEMBL4781207 OBDepict CH 2 N O N CH 3 HN O N N H IC50 = 153.0 nM 391.48 C=CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cn2)C1 Homo sapiens CHEMBL4742552 single protein format
CHEMBL4163879 OBDepict H 3 C N CH 3 NH O N O H N H N N Cl N H IC50 = 158.0 nM 558.09 CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1 Homo sapiens CHEMBL4611854 single protein format
CHEMBL2013163 OBDepict H 2 N N H O S N N H N N F F IC50 = 160.0 nM 458.54 NCCNC(=O)c1cccc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL2011352 OBDepict NH 2 HN O N S N N H N N N S O O CH 3 IC50 = 170.0 nM 502.63 CS(=O)(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncc(C(=O)NCCN)c4)s3)c2)CC1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL1084715 OBDepict H 3 C NH N S CH 3 N N N H HN O H 3 C Ki = 171.0 nM 382.49 CCNc1nc(C)c(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)s1 Homo sapiens CHEMBL1119483 single protein format
CHEMBL219788 OBDepict HO N N N H N H N N H N F IC50 = 180.0 nM 445.5 OCc1nn[nH]c1-c1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1 Homo sapiens CHEMBL855123 single protein format
CHEMBL212049 OBDepict CH 3 N N S O N N H N IC50 = 190.0 nM 367.48 Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1 Homo sapiens CHEMBL870944 single protein format
CHEMBL4764173 OBDepict CH 3 HN H OH H 3 C H N N N H N N H 3 C H 3 C IC50 = 193.0 nM 368.49 CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](C)O Homo sapiens CHEMBL4701388 single protein format
CHEMBL4579344 OBDepict CH 3 N H 3 C N H N N N N H N H 3 C H CH 3 H 3 C OH H 3 C H IC50 = 193.0 nM 383.5 Cc1cc(C)c(CNc2nc(N[C@@H](C)[C@@H](C)O)nc3c2ncn3C(C)C)cn1 Homo sapiens CHEMBL4346782 single protein format
CHEMBL4303279 OBDepict H 3 C N CH 3 NH O HN O N H N N Cl N H IC50 = 194.0 nM 568.08 CN(C)CCCC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1 Homo sapiens CHEMBL4403338 single protein format
CHEMBL514554 OBDepict O HN NH N N N H F F F S O O CH 3 IC50 = 197.0 nM 491.5 CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1 Homo sapiens CHEMBL941345 single protein format
CHEMBL2011353 OBDepict H 2 N N H O N S N N H N N N O CH 3 IC50 = 210.0 nM 466.57 CC(=O)N1CCN(c2ccnc(Nc3ncc(-c4cncc(C(=O)NCCN)c4)s3)c2)CC1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL4756935 OBDepict H 2 C N H O S N O O NH N S S N O CH 3 CH 3 H 3 C IC50 = 224.0 nM 561.76 C=CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1 Homo sapiens CHEMBL4739784 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 = 226.0 nM 499.66 CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1 Homo sapiens CHEMBL4739784 single protein format
CHEMBL4758168 OBDepict CH 3 N CH 3 N H O N O H N H N S S N O H 3 C H 3 C CH 3 IC50 = 230.0 nM 568.77 CN(C)C/C=C/C(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1 Homo sapiens CHEMBL4739784 single protein format
CHEMBL4788136 OBDepict H 2 C NH O N O H N H N S S N O H 3 C CH 3 H 3 C IC50 = 242.0 nM 511.67 C=CC(=O)Nc1ccc(C(=O)N2CC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1 Homo sapiens CHEMBL4739784 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 = 243.0 nM 372.45 COc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC Homo sapiens CHEMBL1119483 single protein format
CHEMBL4644434 OBDepict OH HN H HO H OH N N H N N H 3 C H 3 C IC50 = 250.0 nM 385.47 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@@H](O)CO)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL1234833 OBDepict OH HN H HO H OH N N H N N H 3 C H 3 C IC50 = 250.0 nM 385.47 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H](O)CO)nc12 Homo sapiens CHEMBL4408770 single protein format
CHEMBL2011349 OBDepict H N N N S N N H N N N H IC50 = 260.0 nM 404.5 c1cc(N2CCNCC2)cc(Nc2ncc(-c3cncc(-c4cn[nH]c4)c3)s2)n1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL3301610 OBDepict H 3 C N N N N H N N F F N N H 3 C H 3 C H 3 C IC50 = 300.0 nM 506.61 CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1 Homo sapiens CHEMBL4348720 single protein format
CHEMBL219789 OBDepict H 2 N N N N H N H N N H N F IC50 = 300.0 nM 444.52 NCc1nn[nH]c1-c1ccc2c(-c3cc4cc(CN5CCC(F)CC5)ccc4[nH]3)n[nH]c2c1 Homo sapiens CHEMBL855123 single protein format
CHEMBL3823030 OBDepict CH 3 N N N H H 3 C N N N Cl O N N HO H 3 C H IC50 = 300.0 nM 494.99 Cc1nn(C2CCN(C(=O)[C@@H](C)O)CC2)c(C)c1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1 Homo sapiens CHEMBL3825311 single protein format
CHEMBL4519886 OBDepict H 3 C CH 3 N N N N H N H N H IC50 = 310.0 nM 378.52 CC(C)c1cnn2c(NCc3ccccc3)cc(NCC3CCNCC3)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL374424 OBDepict H 3 C O HO N H N N H N IC50 = 310.0 nM 452.56 COc1cc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)ccc1O Homo sapiens CHEMBL855123 single protein format
CHEMBL4761637 OBDepict CH 2 N H O HN O NH O N S S N O CH 3 H 3 C CH 3 IC50 = 312.0 nM 561.69 C=CC(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)c2)cc1 Homo sapiens CHEMBL4739784 single protein format
CHEMBL2013170 OBDepict H 2 N N H O N S N N H N N F F IC50 = 317.0 nM 445.5 NCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL4646646 OBDepict NH 2 NH H HO N N H N N CH 3 H 3 C IC50 = 320.0 nM 410.57 CC(C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)CCCCCN)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL4863726 OBDepict OH HN N N N CH 3 N H IC50 = 322.15 nM 323.4 Cc1n[nH]c2ccc(-c3cncc(NC4CCCC(O)C4)n3)cc12 Homo sapiens CHEMBL4841258 single protein format
CHEMBL2010809 OBDepict H 2 N NH O N S N N H N N O IC50 = 340.0 nM 425.52 NCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL4781539 OBDepict CH 2 HN O N O N H N S S N O H 3 C CH 3 H 3 C IC50 = 346.0 nM 525.7 C=CC(=O)Nc1ccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)cc1 Homo sapiens CHEMBL4739784 single protein format
CHEMBL2013169 OBDepict H 2 N N H O N S N N H N N F IC50 = 350.0 nM 427.51 NCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)CC4)ccn3)s2)c1 Homo sapiens CHEMBL2014580 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 = 370.0 nM 387.47 CNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1 Homo sapiens CHEMBL1119483 single protein format
CHEMBL2013063 OBDepict HN N N N H N S N N IC50 = 410.0 nM 339.43 c1cc(Nc2ncc(-c3cncnc3)s2)nc(N2CCNCC2)c1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL220947 OBDepict H N N N H N N N N H 3 C IC50 = 420.0 nM 411.51 Cc1cnnn1-c1ccc2c(-c3cc4cc(CN5CCCCC5)ccc4[nH]3)n[nH]c2c1 Homo sapiens CHEMBL855123 single protein format
CHEMBL4783704 OBDepict CH 2 N O F CH 3 HN O N N H IC50 = 440.0 nM 408.48 C=CC(=O)N1CCC=C(c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2F)C1 Homo sapiens CHEMBL4742552 single protein format
CHEMBL4744627 OBDepict H 2 C N O S N O O N H N S S N O H 3 C CH 3 H 3 C IC50 = 447.0 nM 587.79 C=CC(=O)N1CCc2cc(S(=O)(=O)N3CCCC(Nc4ncc(SCc5ncc(C(C)(C)C)o5)s4)C3)ccc21 Homo sapiens CHEMBL4739784 single protein format
CHEMBL4641226 OBDepict CH 2 N O NH O N S S N O CH 3 H 3 C CH 3 IC50 = 457.0 nM 434.59 C=CC(=O)N1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1 Homo sapiens CHEMBL4739784 single protein format
CHEMBL425290 OBDepict H N N N H N N N N IC50 = 480.0 nM 397.49 c1cnn(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)n1 Homo sapiens CHEMBL855123 single protein format
CHEMBL2013064 OBDepict Br N S N N H N N N H IC50 = 480.0 nM 417.34 Brc1cncc(-c2cnc(Nc3cc(N4CCNCC4)ccn3)s2)c1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL4872952 OBDepict OH HN H N F N N CH 3 N H IC50 = 496.4 nM 363.4 Cc1n[nH]c2ccc(-c3cncc(N[C@@H](CO)c4cccc(F)c4)n3)cc12 Homo sapiens CHEMBL4841258 single protein format
CHEMBL4752238 OBDepict CH 2 N H O O F F F H H N H N S S N O CH 3 H 3 C CH 3 IC50 = 498.0 nM 580.7 C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(C(F)(F)F)c1 Homo sapiens CHEMBL4739784 single protein format
CHEMBL1922218 OBDepict H 3 C NH H HO CH 3 H N N N H N N CH 3 CH 3 N IC50 = 500.0 nM 369.47 CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O Homo sapiens CHEMBL3707507 cell-based format
CHEMBL4799698 OBDepict H 2 C N O N H O H 3 C CH 3 N N H IC50 = 506.0 nM 418.54 C=CC(=O)N1CC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cc2)CC1 Homo sapiens CHEMBL4742552 single protein format
CHEMBL210540 OBDepict CH 3 N N N N N H N S N CH 3 N O IC50 = 530.0 nM 480.64 Cc1cc(-c2cnc(Nc3cnc(CN4CCN(C)CC4)cn3)s2)nc(OC2CCCCC2)n1 Homo sapiens CHEMBL870944 single protein format
CHEMBL4752989 OBDepict CH 3 N CH 3 N H O N O N H N S S N O CH 3 H 3 C CH 3 IC50 = 556.0 nM 582.8 CN(C)C/C=C/C(=O)Nc1cccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c1 Homo sapiens CHEMBL4739784 single protein format
CHEMBL4787409 OBDepict H 3 C N CH 3 N O CH 3 H N H O N N H IC50 = 621.0 nM 447.58 C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(C2=CCN(C(=O)/C=C/CN(C)C)CC2)cc1 Homo sapiens CHEMBL4742552 single protein format
CHEMBL4637421 OBDepict NH 2 N H N HN N N H 3 C CH 3 IC50 = 654.0 nM 394.57 CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCCN)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL4472515 OBDepict CH 3 H 3 C N N N N H N H H H HO IC50 = 687.0 nM 393.54 CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCCC[C@@H]3O)nc12 Homo sapiens CHEMBL4611854 single protein format
CHEMBL2013167 OBDepict O NH N F F F S N N H N N O IC50 = 705.0 nM 464.47 O=C(NCC(F)(F)F)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL4790458 OBDepict H 2 C N O N N H O H 3 C CH 3 N N H IC50 = 744.0 nM 419.53 C=CC(=O)N1CC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cn2)CC1 Homo sapiens CHEMBL4742552 single protein format
CHEMBL14762 OBDepict CH 3 N H H OH N N HN N N CH 3 H 3 C IC50 = 800.0 nM 354.46 CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Homo sapiens CHEMBL4348720 single protein format
CHEMBL3612482 OBDepict Cl N N N N N S H 3 C O O CH 3 + N O _ O IC50 = 841.0 nM 408.83 Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccc(Cl)nc12 Homo sapiens CHEMBL3615644 single protein format
CHEMBL2013059 OBDepict H 2 N N H N N H N S N H 3 C IC50 = 870.0 nM 340.46 Cc1ccc(-c2cnc(Nc3cccc(NCCCN)n3)s2)cn1 Homo sapiens CHEMBL2014580 single protein format
CHEMBL428690 OBDepict CH 3 N H HO H OH O OH O Cl IC50 = 875.0 nM 401.85 CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1 Homo sapiens CHEMBL1226926 single protein format