HOME LIGAND hPROTEOME OTHERS DOCUMENT

P53350 | PLK1_HUMAN | Serine/threonine-protein kinase PLK1 (PLK1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

download pymol session

[ Domain: "Polo-box domain" // POLO_box ]

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
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -20600.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804479 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -17900.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804479 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -10100.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804479 cell-based format
CHEMBL4067710 OBDepict H 3 C H N N H 3 C CH 3 N N N N N H O F CH 3 NH O N CH 3 IC50 = 0.4 nM 561.67 CC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3cc(F)c(C(=O)NC4CCN(CC)CC4)cc3OC)nc2N1C(C)C Homo sapiens CHEMBL3997183 cell-based format
CHEMBL3609305 OBDepict CH 3 H N O N N CH 3 N N H O H 3 C HN O N CH 3 Ki = 0.42 nM 521.67 CC[C@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL3610437 cell-based format
CHEMBL4800688 OBDepict CH 3 O O S NH N N N H F F F O N CH 3 O N CH 3 H 3 C IC50 < 0.508 nM 550.56 COC(=O)c1sccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1C(F)(F)F Homo sapiens CHEMBL4773937 single protein format
CHEMBL4780069 OBDepict CH 3 O O N H N + N N NH O _ O O N CH 3 O N CH 3 H 3 C IC50 < 0.508 nM 521.53 COC(=O)c1ccccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)ncc1[N+](=O)[O-] Homo sapiens CHEMBL4773937 single protein format
CHEMBL4792017 OBDepict CH 3 O O S NH N + N N N H O _ O O CH 3 N N CH 3 H 3 C IC50 < 0.508 nM 527.61 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1[N+](=O)[O-] Homo sapiens CHEMBL4773937 single protein format
CHEMBL4787929 OBDepict CH 3 O O S NH N + N N N H O _ O N N N H 3 C IC50 < 0.508 nM 552.66 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)cc2)ncc1[N+](=O)[O-] Homo sapiens CHEMBL4773937 single protein format
CHEMBL4798376 OBDepict H 3 C O O NH N + N N N H O _ O O H 3 C N N IC50 < 0.508 nM 547.62 COC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1[N+](=O)[O-] Homo sapiens CHEMBL4773937 single protein format
CHEMBL3609310 OBDepict CH 3 H N O N N CH 3 N HN O H 3 C NH O N CH 3 Ki = 0.52 nM 521.67 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(OC)c3)nc2N1C1CCCC1 Homo sapiens CHEMBL3610437 cell-based format
CHEMBL4790038 OBDepict CH 3 O O N H N + N N NH O _ O O H 3 C N N H 3 C CH 3 IC50 = 0.577 nM 521.58 COC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1[N+](=O)[O-] Homo sapiens CHEMBL4773937 single protein format
CHEMBL222419 OBDepict CH 3 O O N CH 3 N S O O H 2 N CH 3 H Cl IC50 = 0.8 nM 457.94 COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2cc1OC Homo sapiens CHEMBL960986 cell-based format
CHEMBL513909 OBDepict CH 3 H N O N N CH 3 N N H O H 3 C HN O N CH 3 IC50 = 0.8 nM 521.67 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL985261 single protein format
CHEMBL3609314 OBDepict CH 3 H N O N N CH 3 N N H O N H O N H 3 C Ki = 0.84 nM 575.76 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC3CCCC3)nc2N1C1CCCC1 Homo sapiens CHEMBL3610437 cell-based format
CHEMBL3609300 OBDepict CH 3 O HN N H O N N N N N H CH 3 CH 3 O H 3 C Ki = 0.91 nM 535.69 CC[C@@H]1C(=O)N(CC)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL3610437 cell-based format
CHEMBL1209605 OBDepict H 2 N O S O N CH 3 H N F F F N IC50 = 1.0 nM 508.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL2392556 OBDepict CH 2 H N O N CH 3 N N N H O H 3 C N H O N H 3 C IC50 = 1.0 nM 547.7 C=CC[C@H]1CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2N(C)C1=O Homo sapiens CHEMBL2394892 single protein format
CHEMBL2392548 OBDepict H 3 C N N H O N H N N N N CH 3 O F F IC50 = 1.0 nM 513.59 CN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC(F)(F)C(=O)N4C)cc2)CC1 Homo sapiens CHEMBL2394892 single protein format
CHEMBL2392549 OBDepict H 3 C O N H NH O Cl N N N N N CH 3 H 3 C O F F IC50 = 1.0 nM 578.06 COc1cc(C(=O)NC2CCN(C)CC2)c(Cl)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C Homo sapiens CHEMBL2394892 single protein format
CHEMBL1945172 OBDepict CH 3 N H 3 C N H Cl N N N H S Cl IC50 = 1.0 nM 472.45 CN(C)CCCc1ccc(Cl)c(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 Homo sapiens CHEMBL1948339 assay format
CHEMBL1945500 OBDepict CH 3 N H 3 C N H Cl N N N H S Cl IC50 = 1.0 nM 472.45 CN(C)CCCc1cc(Cl)cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 Homo sapiens CHEMBL1948339 assay format
CHEMBL1945502 OBDepict CH 3 O N H N N N CH 3 CH 3 HN S Cl IC50 = 1.0 nM 468.03 COc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)cc1CCCN(C)C Homo sapiens CHEMBL1948339 assay format
CHEMBL1945801 OBDepict CH 3 N H 3 C N H F F F N N N H S Cl IC50 = 1.0 nM 506.0 CN(C)CCCc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)ccc1C(F)(F)F Homo sapiens CHEMBL1948339 assay format
CHEMBL1945803 OBDepict H 3 C N CH 3 N N H N N HN S Cl IC50 = 1.0 nM 438.99 CN(C)CCCc1cncc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 Homo sapiens CHEMBL1948339 assay format
CHEMBL1209676 OBDepict H 2 N O S O N CH 3 H N F F F N IC50 = 1.0 nM 508.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4cccnc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209016 OBDepict H 3 C N N N N N N S O O H 2 N H 3 C H Cl IC50 = 1.0 nM 590.15 C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCN5CCN(C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209841 OBDepict CH 3 N N N N S O O H 2 N H 3 C H F F F IC50 = 1.0 nM 511.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209015 OBDepict H 2 N O S O N CH 3 H N Cl N N N O IC50 = 1.0 nM 577.11 C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCN5CCOCC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1208966 OBDepict CH 3 N HN N N N N S O O NH 2 CH 3 H Cl IC50 = 1.0 nM 588.14 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NC5CCN(C)CC5)n4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1208964 OBDepict CH 3 N HN N N N S O O NH 2 CH 3 H Cl IC50 = 1.0 nM 587.15 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NC5CCN(C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1208963 OBDepict OH N H N N N S O O NH 2 CH 3 H Cl IC50 = 1.0 nM 534.04 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NCCO)c4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1208893 OBDepict H 2 N N N N N S O O NH 2 CH 3 H F F F IC50 = 1.0 nM 524.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4cnc(N)nc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL1208892 OBDepict NH 2 N N N N S O O NH 2 CH 3 H F F F IC50 = 1.0 nM 524.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL1208835 OBDepict NH 2 N N N S O O NH 2 CH 3 H F F F IC50 = 1.0 nM 523.54 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209844 OBDepict CH 3 N N N S O O H 2 N CH 3 H F F F IC50 = 1.0 nM 522.55 Cc1cc(-c2ccc3c(c2)ncn3-c2cc(O[C@H](C)c3ccccc3C(F)(F)F)c(C(N)=O)s2)ccn1 Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209843 OBDepict CH 3 N N N N S O O H 2 N H 3 C H Cl IC50 = 1.0 nM 477.98 C[C@@H](Oc1cc(-n2cnc3ccc(-c4cnn(C)c4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209759 OBDepict H N N N N S O O H 2 N H 3 C H F F F IC50 = 1.0 nM 497.5 C[C@@H](Oc1cc(-n2cnc3cc(-c4cn[nH]c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209842 OBDepict CH 3 N N N N S O O H 2 N H 3 C H Cl IC50 = 1.0 nM 477.98 C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1208962 OBDepict H 2 N O S O N H 3 C H N Cl N HN S O O H 3 C IC50 = 1.0 nM 596.13 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NCCS(C)(=O)=O)c4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209674 OBDepict NH 2 O S O N H 3 C H N Cl N IC50 = 1.0 nM 474.97 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1794067 OBDepict HO OH H O N N S O O H 2 N CH 3 H Cl IC50 = 1.0 nM 487.97 C[C@@H](Oc1cc(-n2cnc3ccc(OC[C@@H](O)CO)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL960986 cell-based format
CHEMBL493326 OBDepict CH 3 O N N S O O H 2 N CH 3 H Cl IC50 = 1.0 nM 427.91 COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2c1 Homo sapiens CHEMBL960986 cell-based format
CHEMBL4209902 OBDepict CH 3 O N H HN O N N N N N H 3 C H H 3 C CH 3 O IC50 = 1.1 nM 507.64 COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(C1CCCC1)[C@H](C)C(=O)N2C Homo sapiens CHEMBL4200425 single protein format
CHEMBL4783888 OBDepict CH 3 O O S NH N + N N N H O _ O N HO IC50 = 1.27 nM 470.51 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(O)CC3)cc2)ncc1[N+](=O)[O-] Homo sapiens CHEMBL4773937 single protein format
CHEMBL4078098 OBDepict CH 3 O HN NH O F N N N N N H CH 3 N H 3 C N IC50 = 1.3 nM 587.7 CC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3cc(F)c(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCCC1 Homo sapiens CHEMBL3997183 cell-based format
CHEMBL4780169 OBDepict CH 3 O O S N H N Br N N H O CH 3 N N CH 3 H 3 C IC50 = 1.39 nM 561.51 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1Br Homo sapiens CHEMBL4773937 single protein format
CHEMBL4094634 OBDepict H 3 C O NH HN O N N N N N H CH 3 N CH 3 O OH IC50 = 1.4 nM 574.69 CC[C@@H]1c2c(C(=O)O)ncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL3997183 cell-based format
CHEMBL4074778 OBDepict CH 3 O HN NH O N N N N N H CH 3 N H 3 C N IC50 = 1.5 nM 555.69 CC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL3997183 cell-based format
CHEMBL4795375 OBDepict CH 3 O O S NH N + N N N H O _ O O CH 3 N N IC50 = 1.58 nM 553.65 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1[N+](=O)[O-] Homo sapiens CHEMBL4773937 single protein format
CHEMBL4088932 OBDepict H 3 C H N N H 3 C CH 3 N N N N N H O F CH 3 NH O N H 3 C IC50 = 1.7 nM 519.59 CC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3cc(F)c(C(=O)NC4CN(C)C4)cc3OC)nc2N1C(C)C Homo sapiens CHEMBL3997183 cell-based format
CHEMBL4799529 OBDepict CH 3 O O S N H N CH 3 N N H O CH 3 N N CH 3 H 3 C IC50 = 1.85 nM 496.64 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1C Homo sapiens CHEMBL4773937 single protein format
CHEMBL4103908 OBDepict H 3 C H N N H 3 C CH 3 N N N N N H O F CH 3 NH O N H 3 C IC50 = 1.9 nM 547.64 CC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3cc(F)c(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C(C)C Homo sapiens CHEMBL3997183 cell-based format
CHEMBL474432 OBDepict H 3 C O O N H 3 C N S O O OH F F F IC50 = 2.0 nM 478.45 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(=O)O)s3)c2cc1OC Homo sapiens CHEMBL941563 cell-based format
CHEMBL1615278 OBDepict H 3 C N O N N S O O NH 2 H 3 C H F F F IC50 = 2.0 nM 544.6 C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL960986 cell-based format
CHEMBL1209606 OBDepict NH 2 O S O N CH 3 H N F F F N IC50 = 2.0 nM 508.53 C[C@@H](Oc1cc(-n2cnc3ccc(-c4ccncc4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL4063398 OBDepict H 3 C O NH HN O N N N N N H CH 3 N CH 3 O NH 2 IC50 = 2.0 nM 573.7 CC[C@@H]1c2c(C(N)=O)ncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL3997183 cell-based format
CHEMBL474843 OBDepict CH 3 O N N S O O H 2 N F F F IC50 = 2.0 nM 447.44 COc1ccc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1 Homo sapiens CHEMBL941563 cell-based format
CHEMBL480545 OBDepict CH 3 O O N CH 3 N S O O H 2 N S Cl IC50 = 2.0 nM 449.94 COc1cc2ncn(-c3cc(OCc4sccc4Cl)c(C(N)=O)s3)c2cc1OC Homo sapiens CHEMBL941563 cell-based format
CHEMBL2392545 OBDepict H 3 C O N H NH O F N N N N N CH 3 H 3 C O F F IC50 = 2.0 nM 561.61 COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C Homo sapiens CHEMBL2394892 single protein format
CHEMBL2392554 OBDepict H 3 C F N O N CH 3 N N N H O H 3 C N H O N H 3 C IC50 = 2.0 nM 553.68 CC[C@@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)ncc2N(C)C1=O Homo sapiens CHEMBL2394892 single protein format
CHEMBL1945501 OBDepict CH 3 N H 3 C F N H N N N H S Cl IC50 = 2.0 nM 455.99 CN(C)CCCc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)ccc1F Homo sapiens CHEMBL1948339 assay format
CHEMBL1794070 OBDepict H 3 C N O N N S O O NH 2 H 3 C H Cl IC50 = 2.0 nM 511.05 C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL960986 cell-based format
CHEMBL1945805 OBDepict H 3 C N CH 3 N N H H 3 C N N HN S F F F IC50 = 2.0 nM 486.57 Cc1ncc(CCCN(C)C)cc1Nc1ncc2c(n1)-c1ccc(C(F)(F)F)cc1NC(=S)C2 Homo sapiens CHEMBL1948339 assay format
CHEMBL1738758 OBDepict OH N N N O H 2 N N N H O N F F F N CH 3 IC50 = 2.0 nM 532.53 CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1 Homo sapiens CHEMBL1777511 single protein format
CHEMBL1271644 OBDepict H 3 C N N N O NH 2 N N H O N F F F HN IC50 = 2.0 nM 488.47 Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(N4CCNCC4)ccc3OC(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1272694 single protein format
CHEMBL1209017 OBDepict H 3 C N CH 3 N N N N S O O H 2 N H 3 C H Cl IC50 = 2.0 nM 549.1 C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(CCCN(C)C)c4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL514162 OBDepict CH 3 O O N CH 3 N S O O H 2 N Cl IC50 = 2.0 nM 443.91 COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(C(N)=O)s3)c2cc1OC Homo sapiens CHEMBL960986 cell-based format
CHEMBL514499 OBDepict H 3 C O O N H 3 C N S O O NH 2 F F F IC50 = 2.0 nM 477.46 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC Homo sapiens CHEMBL960986 cell-based format
CHEMBL1208965 OBDepict H 3 C N N H N N N S O O NH 2 H 3 C H Cl IC50 = 2.0 nM 587.15 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc(NC5CCN(C)CC5)nc4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1208958 OBDepict H 3 C N N N N N S O O NH 2 H 3 C H Cl IC50 = 2.0 nM 573.12 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CCN(C)CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209677 OBDepict NH 2 O S O N CH 3 H N F F F N IC50 = 2.0 nM 508.53 C[C@@H](Oc1cc(-n2cnc3ccc(-c4cccnc4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL1209675 OBDepict H 2 N O S O N H 3 C H N Cl N IC50 = 2.0 nM 474.97 C[C@@H](Oc1cc(-n2cnc3ccc(-c4ccncc4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212570 single protein format
CHEMBL1945171 OBDepict CH 3 N CH 3 N H CH 3 N N N H S Cl IC50 = 2.0 nM 452.03 Cc1ccc(CCCN(C)C)cc1Nc1ncc2c(n1)-c1ccc(Cl)cc1NC(=S)C2 Homo sapiens CHEMBL1948339 assay format
CHEMBL1945804 OBDepict CH 3 N CH 3 N N H CH 3 N N N H S Cl IC50 = 2.0 nM 453.02 Cc1ncc(CCCN(C)C)cc1Nc1ncc2c(n1)-c1ccc(Cl)cc1NC(=S)C2 Homo sapiens CHEMBL1948339 assay format
CHEMBL474028 OBDepict CH 3 O O N CH 3 N S O O H 2 N Br IC50 = 2.0 nM 488.36 COc1cc2ncn(-c3cc(OCc4ccccc4Br)c(C(N)=O)s3)c2cc1OC Homo sapiens CHEMBL941563 cell-based format
CHEMBL1908394 OBDepict H 3 C N N N N S O O NH 2 H 3 C H F F F Ki = 2.2 nM 543.62 C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL4018862 single protein format
CHEMBL4101459 OBDepict CH 3 O HN NH O N N N N N H CH 3 N H 3 C OH IC50 = 2.2 nM 560.7 CC[C@@H]1c2c(CO)ncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL3997183 cell-based format
CHEMBL4066163 OBDepict CH 3 O HN NH O F N N N N N H CH 3 N H 3 C N IC50 = 2.2 nM 573.68 CC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3cc(F)c(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL3997183 cell-based format
CHEMBL4776291 OBDepict CH 3 O O S N H N CH 3 N N H O CH 3 N N IC50 = 2.22 nM 522.68 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1C Homo sapiens CHEMBL4773937 single protein format
CHEMBL4784741 OBDepict CH 3 O O S NH N N N H N O CH 3 N N CH 3 H 3 C IC50 = 2.67 nM 507.62 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N(C)C)CC3)cc2OC)ncc1C#N Homo sapiens CHEMBL4773937 single protein format
CHEMBL513909 OBDepict CH 3 H N O N N CH 3 N N H O H 3 C HN O N CH 3 Ki = 3.0 nM 521.67 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL2210942 single protein format
CHEMBL1272140 OBDepict CH 3 N N N H O N N F F F N CH 3 N O H 2 N IC50 = 3.0 nM 502.5 CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1 Homo sapiens CHEMBL1272694 single protein format
CHEMBL522709 OBDepict CH 3 O N N S O O H 2 N CH 3 H F F F IC50 = 3.0 nM 461.47 COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1 Homo sapiens CHEMBL960986 cell-based format
CHEMBL1964262 OBDepict NH 2 O S O N H 3 C H N Cl O OH H N IC50 = 3.0 nM 541.07 C[C@@H](Oc1cc(-n2cnc3ccc(OC[C@H](O)CN4CCCC4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL960986 cell-based format
CHEMBL1774327 OBDepict CH 3 N N H O N N F F F N CH 3 N O H 2 N IC50 = 3.0 nM 499.5 CN1CC=C(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1 Homo sapiens CHEMBL1777511 single protein format
CHEMBL1964263 OBDepict NH 2 O S O N CH 3 H N O F F F N H IC50 = 3.0 nM 530.57 C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL960986 cell-based format
CHEMBL2392544 OBDepict H 2 C F N O N CH 3 N N N H O H 3 C N H O N N H 3 C IC50 = 3.0 nM 552.66 C=C[C@@]1(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)NN4CCN(C)CC4)cc3OC)ncc2N(C)C1=O Homo sapiens CHEMBL2394892 single protein format
CHEMBL3344193 OBDepict CH 3 O O N H Cl N IC50 = 3.0 nM 368.86 COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1 Homo sapiens CHEMBL3372890 cell-based format
CHEMBL1964264 OBDepict H 3 C N H O N N S O O NH 2 CH 3 H Cl IC50 = 3.0 nM 525.07 C[C@@H](Oc1cc(-n2cnc3ccc(O[C@H]4CCCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL960986 cell-based format
CHEMBL1209757 OBDepict NH 2 O S O N H 3 C H N F F F S IC50 = 3.0 nM 513.57 C[C@@H](Oc1cc(-n2cnc3cc(-c4cccs4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL1208961 OBDepict CH 3 N CH 3 NH N N N S O O H 2 N H 3 C H F F F IC50 = 3.0 nM 594.66 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(NCCN(C)C)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL4785567 OBDepict CH 3 O O S NH N N N H F F F O CH 3 N N IC50 = 3.31 nM 576.65 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1C(F)(F)F Homo sapiens CHEMBL4773937 single protein format
CHEMBL4790028 OBDepict CH 3 O O S N H N Br N N H O CH 3 N N IC50 = 3.44 nM 587.54 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1Br Homo sapiens CHEMBL4773937 single protein format
CHEMBL4459892 OBDepict HO O N H HN O F N N N N N CH 3 H CH 3 O CH 3 IC50 = 3.58 nM 569.68 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC4CCN(C)CC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409680 assay format
CHEMBL4784781 OBDepict CH 3 O O S NH N + N N N H O _ O O CH 3 N N H 3 C IC50 = 3.69 nM 499.55 COC(=O)c1ccsc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2OC)ncc1[N+](=O)[O-] Homo sapiens CHEMBL4773937 single protein format
CHEMBL4779654 OBDepict CH 3 O O S N H N N N H N O CH 3 N N IC50 = 3.82 nM 533.66 COC(=O)c1sccc1Nc1nc(Nc2ccc(N3CCC(N4CCCC4)CC3)cc2OC)ncc1C#N Homo sapiens CHEMBL4773937 single protein format
CHEMBL4458460 OBDepict OH O NH N H O F N N N N H 3 C H O CH 3 IC50 = 3.89 nM 540.64 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC4CCCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409680 assay format
CHEMBL1208833 OBDepict Cl N N N S O O NH 2 CH 3 H F F F IC50 = 4.0 nM 542.97 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(Cl)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212570 single protein format
CHEMBL519120 OBDepict Cl N N S O O H 2 N CH 3 IC50 = 4.0 nM 397.89 Cc1ccccc1COc1cc(-n2cnc3ccc(Cl)cc32)sc1C(N)=O Homo sapiens CHEMBL941563 cell-based format