HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q9H4B4 | PLK3_HUMAN | Serine/threonine-protein kinase PLK3 (PLK3)

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
CHEMBL2205426 OBDepict O O N H N H CH 3 H 3 C CH 3 N N N H N Ki = 2.0 nM 414.47 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O Homo sapiens CHEMBL2210938 single protein format
CHEMBL1945500 OBDepict CH 3 N H 3 C N H Cl N N N H S Cl IC50 = 5.0 nM 472.45 CN(C)CCCc1cc(Cl)cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 Homo sapiens CHEMBL1948344 single protein format
CHEMBL1945502 OBDepict CH 3 O N H N N N CH 3 CH 3 HN S Cl IC50 = 5.0 nM 468.03 COc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)cc1CCCN(C)C Homo sapiens CHEMBL1948344 single protein format
CHEMBL1208892 OBDepict NH 2 N N N N S O O NH 2 CH 3 H F F F IC50 = 5.0 nM 524.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212571 single protein format
CHEMBL222419 OBDepict CH 3 O O N CH 3 N S O O H 2 N CH 3 H Cl IC50 = 6.0 nM 457.94 COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2cc1OC Homo sapiens CHEMBL960987 cell-based format
CHEMBL1209842 OBDepict CH 3 N N N N S O O H 2 N H 3 C H Cl IC50 = 6.0 nM 477.98 C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212571 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 = 6.0 nM 511.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212571 single protein format
CHEMBL1094477 OBDepict H 3 C N N N O NH 2 N N H CH 3 IC50 = 6.0 nM 334.38 Cc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL4592698 OBDepict H 3 C O HN N H O N N N N CH 3 H O H 3 C IC50 = 6.04 nM 492.62 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL1945501 OBDepict CH 3 N H 3 C F N H N N N H S Cl IC50 = 7.0 nM 455.99 CN(C)CCCc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)ccc1F Homo sapiens CHEMBL1948344 single protein format
CHEMBL1209605 OBDepict H 2 N O S O N CH 3 H N F F F N IC50 = 8.0 nM 508.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212571 single protein format
CHEMBL514499 OBDepict H 3 C O O N H 3 C N S O O NH 2 F F F IC50 = 9.0 nM 477.46 COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC Homo sapiens CHEMBL960987 cell-based format
CHEMBL514162 OBDepict CH 3 O O N CH 3 N S O O H 2 N Cl IC50 = 9.0 nM 443.91 COc1cc2ncn(-c3cc(OCc4ccccc4Cl)c(C(N)=O)s3)c2cc1OC Homo sapiens CHEMBL960987 cell-based format
CHEMBL1945801 OBDepict CH 3 N H 3 C N H F F F N N N H S Cl IC50 = 9.0 nM 506.0 CN(C)CCCc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)ccc1C(F)(F)F Homo sapiens CHEMBL1948344 single protein format
CHEMBL1209674 OBDepict NH 2 O S O N H 3 C H N Cl N IC50 = 10.0 nM 474.97 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212571 single protein format
CHEMBL1095457 OBDepict H 3 C NH N H N N N CH 3 N O H 2 N IC50 = 11.0 nM 349.4 CNc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL1945170 OBDepict H 3 C N CH 3 N H N N HN S Cl IC50 = 12.0 nM 438.0 CN(C)CCCc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 Homo sapiens CHEMBL1948344 single protein format
CHEMBL1097022 OBDepict CH 3 N N N O H 2 N N N H NH 2 IC50 = 13.0 nM 335.37 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3N)ncc1CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL1209843 OBDepict CH 3 N N N N S O O H 2 N H 3 C H Cl IC50 = 13.0 nM 477.98 C[C@@H](Oc1cc(-n2cnc3ccc(-c4cnn(C)c4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212571 single protein format
CHEMBL1094135 OBDepict H 3 C O N H N N N CH 3 N O H 2 N IC50 = 13.0 nM 350.38 COc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL559845 OBDepict H 3 C N N N O NH 2 N N H IC50 = 14.0 nM 320.36 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL1094478 OBDepict H 3 C S N H N N N CH 3 N O H 2 N IC50 = 16.0 nM 366.45 CSc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL1209676 OBDepict H 2 N O S O N CH 3 H N F F F N IC50 = 16.0 nM 508.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4cccnc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212571 single protein format
CHEMBL1209606 OBDepict NH 2 O S O N CH 3 H N F F F N IC50 = 16.0 nM 508.53 C[C@@H](Oc1cc(-n2cnc3ccc(-c4ccncc4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212571 single protein format
CHEMBL1945171 OBDepict CH 3 N CH 3 N H CH 3 N N N H S Cl IC50 = 18.0 nM 452.03 Cc1ccc(CCCN(C)C)cc1Nc1ncc2c(n1)-c1ccc(Cl)cc1NC(=S)C2 Homo sapiens CHEMBL1948344 single protein format
CHEMBL4454222 OBDepict CH 3 H N O N N CH 3 N HN H 3 C NH O IC50 = 18.91 nM 476.63 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3C)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4458460 OBDepict OH O NH N H O F N N N N H 3 C H O CH 3 IC50 = 22.14 nM 540.64 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC4CCCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL522618 OBDepict H N H H 3 C N O N O O IC50 = 24.0 nM 359.39 C[C@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1 Homo sapiens CHEMBL991584 single protein format
CHEMBL1209675 OBDepict H 2 N O S O N H 3 C H N Cl N IC50 = 25.0 nM 474.97 C[C@@H](Oc1cc(-n2cnc3ccc(-c4ccncc4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL1212571 single protein format
CHEMBL520037 OBDepict H 3 C O O N H CH 3 O CH 3 N N N N H 3 C F F F IC50 = 30.0 nM 459.43 COc1cc(Nc2ncc3c(C)nc(-c4cccc(C(F)(F)F)c4)n3n2)cc(OC)c1OC Homo sapiens CHEMBL942192 cell-based format
CHEMBL4548940 OBDepict CH 3 H N O N N CH 3 N HN HO NH O IC50 = 30.4 nM 478.6 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3O)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL1945803 OBDepict H 3 C N CH 3 N N H N N HN S Cl IC50 = 31.0 nM 438.99 CN(C)CCCc1cncc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 Homo sapiens CHEMBL1948344 single protein format
CHEMBL1272089 OBDepict H 3 C N N N O NH 2 N N H O F F F IC50 = 32.0 nM 404.35 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3OC(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1272696 single protein format
CHEMBL493326 OBDepict CH 3 O N N S O O H 2 N CH 3 H Cl IC50 = 35.0 nM 427.91 COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2c1 Homo sapiens CHEMBL960987 cell-based format
CHEMBL1095771 OBDepict CH 3 N N N O H 2 N N N H F IC50 = 37.0 nM 338.35 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3F)ncc1CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL4166771 OBDepict CH 3 H N O N N CH 3 N N H S NH O O H 3 C IC50 = 38.52 nM 444.56 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NC)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143485 assay format
CHEMBL1209677 OBDepict NH 2 O S O N CH 3 H N F F F N IC50 = 40.0 nM 508.53 C[C@@H](Oc1cc(-n2cnc3ccc(-c4cccnc4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212571 single protein format
CHEMBL522709 OBDepict CH 3 O N N S O O H 2 N CH 3 H F F F IC50 = 41.0 nM 461.47 COc1ccc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C(N)=O)s3)c2c1 Homo sapiens CHEMBL960987 cell-based format
CHEMBL4456400 OBDepict OH O HN N H O F N N CH 3 N N CH 3 H O H 3 C IC50 = 43.78 nM 486.55 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL521806 OBDepict CH 3 O O N CH 3 N S O O H 2 N CH 3 H Cl IC50 = 44.0 nM 457.94 COc1cc2ncn(-c3cc(O[C@@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2cc1OC Homo sapiens CHEMBL960987 cell-based format
CHEMBL4457656 OBDepict OH O HN N H O F N N CH 3 CH 3 N N CH 3 H O H 3 C IC50 = 45.07 nM 514.6 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC(C)C)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4570557 OBDepict OH O N H NH O F N N CH 3 N N CH 3 H O H 3 C IC50 = 46.93 nM 500.58 CCNC(=O)c1cc(OCCO)c(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)cc1F Homo sapiens CHEMBL4409682 assay format
CHEMBL1097373 OBDepict CH 3 NH O N H N N N CH 3 N O H 2 N IC50 = 49.0 nM 377.41 CC(=O)Nc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL428496 OBDepict CH 3 O H O CH 3 O O H O O H CH 3 O CH 3 O IC50 = 49.0 nM 428.44 COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O Homo sapiens CHEMBL995295 cell-based format
CHEMBL1209757 OBDepict NH 2 O S O N H 3 C H N F F F S IC50 = 50.0 nM 513.57 C[C@@H](Oc1cc(-n2cnc3cc(-c4cccs4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212571 single protein format
CHEMBL1096095 OBDepict H 3 C N N N O NH 2 N N H O IC50 = 51.0 nM 412.45 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL1794067 OBDepict HO OH H O N N S O O H 2 N CH 3 H Cl IC50 = 61.0 nM 487.97 C[C@@H](Oc1cc(-n2cnc3ccc(OC[C@@H](O)CO)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL960987 cell-based format
CHEMBL1945804 OBDepict CH 3 N CH 3 N N H CH 3 N N N H S Cl IC50 = 64.0 nM 453.02 Cc1ncc(CCCN(C)C)cc1Nc1ncc2c(n1)-c1ccc(Cl)cc1NC(=S)C2 Homo sapiens CHEMBL1948344 single protein format
CHEMBL1095717 OBDepict H 3 C O N H N N N N H 3 C N H 3 C N O NH 2 IC50 = 66.0 nM 448.53 COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL4871593 OBDepict CH 2 N N O N N N N H OH CH 3 N N H 3 C IC50 = 70.0 nM 526.65 C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)C(O)(CC)CC2 Homo sapiens CHEMBL4844334 single protein format
CHEMBL1945172 OBDepict CH 3 N H 3 C N H Cl N N N H S Cl IC50 = 73.0 nM 472.45 CN(C)CCCc1ccc(Cl)c(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 Homo sapiens CHEMBL1948344 single protein format
CHEMBL1209756 OBDepict H 2 N O S O N CH 3 H N F F F N IC50 = 79.0 nM 508.53 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccccn4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212571 single protein format
CHEMBL4168155 OBDepict CH 3 H N O N N CH 3 N N H S O O NH 2 IC50 = 80.72 nM 430.53 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143485 assay format
CHEMBL4441121 OBDepict HO O N H HN O F N N N N O CH 3 H O CH 3 IC50 = 84.8 nM 556.64 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC4CCOCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay 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 = 90.0 nM 521.67 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL3707705 single protein format
CHEMBL519715 OBDepict CH 3 O O NH CH 3 O CH 3 N N N N H 3 C IC50 = 90.0 nM 391.43 COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC Homo sapiens CHEMBL942192 cell-based format
CHEMBL4447251 OBDepict OH O HN O CH 3 N N N N CH 3 H O H 3 C IC50 = 91.93 nM 453.54 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(C)=O)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL1097071 OBDepict CH 3 N N N O H 2 N N N H F F F IC50 = 95.0 nM 388.35 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL1099104 OBDepict CH 3 O N H N N N CH 3 N O H 2 N IC50 = 103.0 nM 362.39 CC(=O)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL4436925 OBDepict OH NH N H O N N N N H 3 C H O CH 3 IC50 = 112.8 nM 506.65 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3CCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4459892 OBDepict HO O N H HN O F N N N N N CH 3 H CH 3 O CH 3 IC50 = 116.6 nM 569.68 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC4CCN(C)CC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL1209758 OBDepict H 2 N O S O N CH 3 H N F F F N H IC50 = 126.0 nM 496.51 C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc[nH]4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1212571 single protein format
CHEMBL1945173 OBDepict H 3 C O N H N N N CH 3 H 3 C NH S Cl IC50 = 140.0 nM 468.03 COc1ccc(CCCN(C)C)cc1Nc1ncc2c(n1)-c1ccc(Cl)cc1NC(=S)C2 Homo sapiens CHEMBL1948344 single protein format
CHEMBL4448563 OBDepict HO O NH N H O N N H 3 C CH 3 N N H 3 C H O CH 3 IC50 = 142.5 nM 496.61 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC(C)C)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4176983 OBDepict HO NH S O O N H N N N N CH 3 H O CH 3 IC50 = 145.6 nM 474.59 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143485 assay format
CHEMBL1095772 OBDepict CH 3 N N N O H 2 N N N H CH 3 H 3 C IC50 = 146.0 nM 362.44 CC(C)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL4519294 OBDepict HO O HN N H O N N N N O CH 3 H O H 3 C IC50 = 150.2 nM 538.65 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCOCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL1269042 OBDepict NH 2 N H O N N F F F N CH 3 N O NH 2 IC50 = 154.0 nM 419.37 Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(N)ccc3OC(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1272696 single protein format
CHEMBL4566834 OBDepict OH O HN N H O N N CH 3 N N CH 3 H O H 3 C IC50 = 157.4 nM 468.56 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4461041 OBDepict OH O HN O NH 2 N N N N CH 3 H O H 3 C IC50 = 162.8 nM 454.53 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(N)=O)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4169129 OBDepict HO NH S O O N H N N N N CH 3 H O CH 3 IC50 = 165.3 nM 488.61 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCCCO)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143485 assay format
CHEMBL4529398 OBDepict HO O N H HN O N N N N N CH 3 H O CH 3 O IC50 = 166.1 nM 567.69 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCN4CCOCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL551079 OBDepict F O F O CH 3 H N H H 3 C CH 3 H 3 C S O NH 2 N N IC50 = 178.0 nM 514.6 C[C@@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(CNC(C)(C)C)cc1OC(F)F Homo sapiens CHEMBL1059129 single protein format
CHEMBL1793896 OBDepict CH 2 N N N O H 2 N N N H O N F F F N CH 3 IC50 = 182.0 nM 514.51 C=Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(N4CCN(C)CC4)ccc3OC(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1272696 single protein format
CHEMBL4447495 OBDepict OH O N H NH O F N N N N N CH 3 H O H 3 C N CH 3 IC50 = 196.0 nM 598.72 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NCCN4CCN(C)CC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4177399 OBDepict CH 3 HN S O O N H N N N N H 3 C H O CH 3 IC50 = 203.9 nM 472.62 CCCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)cc1 Homo sapiens CHEMBL4143485 assay format
CHEMBL4515187 OBDepict OH O NH HN O N N N N N H 3 C H O CH 3 CH 3 H 3 C IC50 = 205.2 nM 579.75 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C(C)C)CC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 224.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328582 single protein format
CHEMBL1774332 OBDepict CH 3 N N N O H 2 N N N H O N H F F F HN IC50 = 239.0 nM 488.47 Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NC4CCCN4)ccc3OC(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1777513 single protein format
CHEMBL1271591 OBDepict H 3 C N N N O NH 2 N N H O N H F F F N H IC50 = 239.0 nM 488.47 Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(NC4CCNC4)ccc3OC(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1272696 single protein format
CHEMBL1964264 OBDepict H 3 C N H O N N S O O NH 2 CH 3 H Cl IC50 = 240.0 nM 525.07 C[C@@H](Oc1cc(-n2cnc3ccc(O[C@H]4CCCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL960987 cell-based format
CHEMBL4170176 OBDepict CH 3 HN S O O N H N N N N H 3 C H O CH 3 IC50 = 245.6 nM 486.64 CCCCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)cc1 Homo sapiens CHEMBL4143485 assay format
CHEMBL1964265 OBDepict H 3 C N H O N N S O O NH 2 CH 3 H Cl IC50 = 250.0 nM 525.07 C[C@@H](Oc1cc(-n2cnc3ccc(O[C@@H]4CCCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL960987 cell-based format
CHEMBL1945497 OBDepict CH 3 N CH 3 N H O N N F F F N H S Cl IC50 = 260.0 nM 522.0 CN(C)CCCc1ccc(OC(F)(F)F)c(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1 Homo sapiens CHEMBL1948344 single protein format
CHEMBL1269487 OBDepict O N O H 3 C H 3 C CH 3 N N H O N N F F F N H 3 C N O H 2 N IC50 = 262.0 nM 588.59 Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(N4CCN(C(=O)OC(C)(C)C)CC4)ccc3OC(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1272696 single protein format
CHEMBL1615278 OBDepict H 3 C N O N N S O O NH 2 H 3 C H F F F IC50 = 270.0 nM 544.6 C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL960987 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 = 323.0 nM 499.5 CN1CC=C(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1 Homo sapiens CHEMBL1777513 single protein format
CHEMBL4162262 OBDepict CH 3 H N O N N H 3 C N N H S HN O O CH 3 H 3 C IC50 = 342.2 nM 486.64 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCC(C)C)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143485 assay format
CHEMBL1964263 OBDepict NH 2 O S O N CH 3 H N O F F F N H IC50 = 350.0 nM 530.57 C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCNCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL960987 cell-based format
CHEMBL4573833 OBDepict HO O N H HN O F N N N N N CH 3 H O CH 3 O IC50 = 366.3 nM 585.68 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NCCN4CCOCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4574072 OBDepict CH 3 HN O O N H N N OH N N H 3 C H O CH 3 IC50 = 385.3 nM 496.61 CCCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)c(OCCO)c1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4545446 OBDepict HO O N H NH O N N CH 3 N N CH 3 H O H 3 C IC50 = 406.9 nM 482.59 CCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)c(OCCO)c1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4465062 OBDepict OH O NH N H O F N N N N H 3 C O CH 3 IC50 = 436.2 nM 540.64 CCC1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC4CCCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4453584 OBDepict CH 3 HN O O N H N N OH N N H 3 C H O CH 3 IC50 = 440.6 nM 510.64 CCCCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)c(OCCO)c1 Homo sapiens CHEMBL4409682 assay format
CHEMBL1094408 OBDepict H 3 C O N H N N N N N CH 3 H 3 C N O NH 2 IC50 = 450.0 nM 448.53 COc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109143 single protein format
CHEMBL4531932 OBDepict HO O HN N H O N N N N CH 3 H O H 3 C IC50 = 452.0 nM 522.65 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL1964261 OBDepict CH 3 N H 3 C O N N S O O H 2 N CH 3 H Cl IC50 = 460.0 nM 499.04 C[C@@H](Oc1cc(-n2cnc3ccc(OCCCN(C)C)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL960987 cell-based format
CHEMBL4574255 OBDepict OH O N H NH O N N N N CH 3 H O CH 3 IC50 = 476.7 nM 494.6 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409682 assay format
CHEMBL4173322 OBDepict HO NH S O O N H N N N N CH 3 N O N CH 3 H 3 C IC50 = 482.8 nM 486.56 CCC1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143485 assay format
CHEMBL1271535 OBDepict CH 3 N N H NH O N N F F F N CH 3 N O H 2 N IC50 = 485.0 nM 530.56 CN1CCCC1CCNc1ccc(OC(F)(F)F)c(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)c1 Homo sapiens CHEMBL1272696 single protein format