HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q9NYY3 | PLK2_HUMAN | Serine/threonine-protein kinase PLK2 (PLK2)

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
CHEMBL1094477 OBDepict H 3 C N N N O NH 2 N N H CH 3 IC50 = 2.0 nM 334.38 Cc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109142 single protein format
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 CHEMBL2210940 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 = 3.4 nM 444.56 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NC)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4592698 OBDepict H 3 C O HN N H O N N N N CH 3 H O H 3 C IC50 = 3.98 nM 492.62 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL522618 OBDepict H N H H 3 C N O N O O IC50 = 4.0 nM 359.39 C[C@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1 Homo sapiens CHEMBL991583 single protein format
CHEMBL4454222 OBDepict CH 3 H N O N N CH 3 N HN H 3 C NH O IC50 = 4.72 nM 476.63 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3C)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL4171770 OBDepict CH 3 NH O N N N N N CH 3 H O H 3 C IC50 = 4.88 nM 446.56 CCNC(=O)c1ccc2c(ccn2-c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)c1 Homo sapiens CHEMBL4143483 assay format
CHEMBL2401963 OBDepict CH 3 H N O N N CH 3 N N N IC50 = 5.0 nM 402.5 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C1CCCC1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4175722 OBDepict CH 3 H N O N N CH 3 N N N H O IC50 = 7.06 nM 486.62 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NC5CCCC5)ccc43)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4176983 OBDepict HO NH S O O N H N N N N CH 3 H O CH 3 IC50 = 7.86 nM 474.59 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCCO)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4548940 OBDepict CH 3 H N O N N CH 3 N HN HO NH O IC50 = 7.98 nM 478.6 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3O)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL2401971 OBDepict CH 3 H N O N CH 3 N H O N N N IC50 = 8.0 nM 404.47 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1[C@H]1CCOC1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4169129 OBDepict HO NH S O O N H N N N N CH 3 H O CH 3 IC50 = 8.16 nM 488.61 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCCCO)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4163892 OBDepict CH 3 H N O N N CH 3 N N N H O H 3 C IC50 = 8.6 nM 432.53 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NC)ccc43)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL2401966 OBDepict CH 3 H N O N N CH 3 F F F N N N IC50 = 9.0 nM 430.43 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1CCC(F)(F)F Homo sapiens CHEMBL2406852 single protein format
CHEMBL559845 OBDepict H 3 C N N N O NH 2 N N H IC50 = 9.0 nM 320.36 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2 Homo sapiens CHEMBL1109142 single protein format
CHEMBL4168155 OBDepict CH 3 H N O N N CH 3 N N H S O O NH 2 IC50 = 10.17 nM 430.53 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4164012 OBDepict H 3 C NH O N N N N N CH 3 H O H 3 C IC50 = 11.35 nM 460.58 CCCNC(=O)c1ccc2c(ccn2-c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)c1 Homo sapiens CHEMBL4143483 assay format
CHEMBL2401969 OBDepict H 3 C H N O N N H 3 C F F N N N F IC50 = 12.0 nM 442.45 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1C1CC(F)(F)C1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL1095457 OBDepict H 3 C NH N H N N N CH 3 N O H 2 N IC50 = 12.0 nM 349.4 CNc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109142 single protein format
CHEMBL2402078 OBDepict CH 3 H N O N N CH 3 N N H N N N F IC50 = 12.0 nM 418.44 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1cn[nH]c1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL1097022 OBDepict CH 3 N N N O H 2 N N N H NH 2 IC50 = 12.0 nM 335.37 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3N)ncc1CC2 Homo sapiens CHEMBL1109142 single protein format
CHEMBL2401968 OBDepict CH 3 N O N N CH 3 F F N N N F IC50 = 13.0 nM 456.47 CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1C1CCC(F)(F)C1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL1094478 OBDepict H 3 C S N H N N N CH 3 N O H 2 N IC50 = 14.0 nM 366.45 CSc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109142 single protein format
CHEMBL2401975 OBDepict CH 3 N O N N CH 3 N N F N F IC50 = 15.0 nM 446.46 CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccc(F)cc1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4160611 OBDepict CH 3 NH O N N N N N CH 3 H O H 3 C IC50 = 16.52 nM 474.61 CCCCNC(=O)c1ccc2c(ccn2-c2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)c1 Homo sapiens CHEMBL4143483 assay format
CHEMBL2401974 OBDepict H 3 C N O N H 3 C N N N N IC50 = 17.0 nM 410.48 CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1c1ccccc1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4174667 OBDepict CH 3 H N O N N CH 3 N N N H O H 3 C H 3 C IC50 = 17.41 nM 460.58 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NC(C)C)ccc43)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4177399 OBDepict CH 3 HN S O O N H N N N N H 3 C H O CH 3 IC50 = 17.77 nM 472.62 CCCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)cc1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4171224 OBDepict CH 3 H N O N N CH 3 N N N H O CH 3 H 3 C IC50 = 18.62 nM 474.61 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NCC(C)C)ccc43)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4170176 OBDepict CH 3 HN S O O N H N N N N H 3 C H O CH 3 IC50 = 19.85 nM 486.64 CCCCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)cc1 Homo sapiens CHEMBL4143483 assay format
CHEMBL2401972 OBDepict CH 3 H N O N CH 3 N H O N N N IC50 = 21.0 nM 404.47 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1[C@@H]1CCOC1 Homo sapiens CHEMBL2406852 single protein 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 = 21.0 nM 514.6 C[C@@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(CNC(C)(C)C)cc1OC(F)F Homo sapiens CHEMBL1059128 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 = 21.77 nM 486.64 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCC(C)C)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4173620 OBDepict CH 3 H N O N N CH 3 N N H S HN O O IC50 = 23.87 nM 498.65 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NC4CCCC4)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL1094135 OBDepict H 3 C O N H N N N CH 3 N O H 2 N IC50 = 24.0 nM 350.38 COc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109142 single protein format
CHEMBL2401965 OBDepict CH 3 H N O N CH 3 H 3 C N CH 3 N N N IC50 = 25.0 nM 376.46 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1C(C)C Homo sapiens CHEMBL2406852 single protein format
CHEMBL1095771 OBDepict CH 3 N N N O H 2 N N N H F IC50 = 27.0 nM 338.35 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3F)ncc1CC2 Homo sapiens CHEMBL1109142 single protein format
CHEMBL4161572 OBDepict CH 3 H N O N N CH 3 N N O H 2 N IC50 = 28.51 nM 418.5 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(N)=O)ccc43)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 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 = 30.0 nM 521.67 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL3707634 single protein format
CHEMBL2401959 OBDepict H 3 C CH 3 N O N N H 3 C F F F N N N F IC50 = 30.0 nM 462.45 CCC1(C)C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1CCC(F)(F)F Homo sapiens CHEMBL2406852 single protein format
CHEMBL4458460 OBDepict OH O NH N H O F N N N N H 3 C H O CH 3 IC50 = 30.51 nM 540.64 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC4CCCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL2402076 OBDepict H 3 C N O N N H 3 C N N N N F IC50 = 31.0 nM 453.48 CCC1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccc(C#N)cc1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL2401973 OBDepict CH 3 H N O N CH 3 N H O N N N F IC50 = 33.0 nM 422.46 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1[C@H]1CCOC1 Homo sapiens CHEMBL2406852 single protein 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 = 33.83 nM 514.6 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC(C)C)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL2402083 OBDepict CH 3 H N O N N CH 3 O N N N N S H IC50 = 36.0 nM 425.52 CC[C@@H]1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1C1CCOCC1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4436925 OBDepict OH NH N H O N N N N H 3 C H O CH 3 IC50 = 36.04 nM 506.65 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3CCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL2402084 OBDepict CH 3 H N O N CH 3 N H O N N N H N S IC50 = 39.0 nM 411.49 CC[C@@H]1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1[C@H]1CCOC1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4871593 OBDepict CH 2 N N O N N N N H OH CH 3 N N H 3 C IC50 = 40.0 nM 526.65 C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1ccc2c(n1)C(O)(CC)CC2 Homo sapiens CHEMBL4844333 single protein format
CHEMBL2401967 OBDepict H 3 C H N O N N H 3 C F F F N N N F IC50 = 42.0 nM 448.42 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1CCC(F)(F)F Homo sapiens CHEMBL2406852 single protein format
CHEMBL2402077 OBDepict H 3 C H N O N N H 3 C N N N N N IC50 = 44.0 nM 412.46 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccccc3)nc2N1c1cncnc1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4165706 OBDepict CH 3 H N O N N H 3 C N N H S NH O O IC50 = 54.4 nM 506.63 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)Nc4ccccc4)cc3)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL2401964 OBDepict CH 3 H N O N CH 3 H 3 C N CH 3 N N N N S H IC50 = 60.0 nM 383.48 CC[C@@H]1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1C(C)C Homo sapiens CHEMBL2406852 single protein format
CHEMBL4441121 OBDepict HO O N H HN O F N N N N O CH 3 H O CH 3 IC50 = 61.17 nM 556.64 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC4CCOCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL4172511 OBDepict CH 3 N O N N N CH 3 N H 3 C N N H S NH O O H 3 C IC50 = 71.55 nM 456.53 CCC1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NC)cc3)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4450564 OBDepict CH 3 O NH N H O N N N HN H O CH 3 IC50 = 75.77 nM 478.6 CC[C@@H]1C(=O)Nc2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3OC)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay 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 = 82.0 nM 448.53 COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109142 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 = 85.11 nM 496.61 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC(C)C)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL4164082 OBDepict CH 3 N O N N N CH 3 N H 3 C N N N H O IC50 = 90.93 nM 498.59 CCC1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NC5CCCC5)ccc43)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143483 assay format
CHEMBL2402085 OBDepict CH 3 H N O N N CH 3 N N H N N N N S H IC50 = 92.0 nM 407.46 CC[C@@H]1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1c1cn[nH]c1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL2401956 OBDepict CH 3 H N O N N CH 3 N N H 3 C N N N H F F IC50 = 103.0 nM 450.45 CC[C@@H]1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3ccc(F)cc3F)nc2N1c1cnn(C)c1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4570557 OBDepict OH O N H NH O F N N CH 3 N N CH 3 H O H 3 C IC50 = 107.0 nM 500.58 CCNC(=O)c1cc(OCCO)c(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)cc1F Homo sapiens CHEMBL4409681 assay format
CHEMBL4456400 OBDepict OH O HN N H O F N N CH 3 N N CH 3 H O H 3 C IC50 = 107.2 nM 486.55 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL1097071 OBDepict CH 3 N N N O H 2 N N N H F F F IC50 = 109.0 nM 388.35 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3C(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1109142 single protein format
CHEMBL2401958 OBDepict F N N N N N N CH 3 O F F F F F F IC50 = 120.0 nM 502.39 CN1C(=O)C(CC(F)(F)F)N(CCC(F)(F)F)c2nc(-n3ccnc3-c3ccc(F)cc3)ncc21 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4161861 OBDepict CH 3 N O N N N CH 3 N H 3 C N N H S O O NH 2 IC50 = 120.6 nM 442.51 CCC1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143483 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 = 122.2 nM 569.68 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NC4CCN(C)CC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL4171281 OBDepict H 3 C N O N N N H 3 C N CH 3 N N N H O CH 3 CH 3 IC50 = 124.5 nM 472.55 CCC1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NC(C)C)ccc43)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143483 assay format
CHEMBL2402086 OBDepict CH 3 N O N N CH 3 N N H 3 C N N N N S H IC50 = 130.0 nM 421.49 CCC1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3nccs3)nc2N1c1cnn(C)c1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL4447251 OBDepict OH O HN O CH 3 N N N N CH 3 H O H 3 C IC50 = 131.7 nM 453.54 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(C)=O)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL4531932 OBDepict HO O HN N H O N N N N CH 3 H O H 3 C IC50 = 152.0 nM 522.65 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL4174735 OBDepict H 3 C N O N N N H 3 C N CH 3 N N N H O H 3 C CH 3 IC50 = 158.8 nM 486.58 CCC1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NCC(C)C)ccc43)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4160679 OBDepict CH 3 NH O N N N N N CH 3 N O N CH 3 CH 3 IC50 = 159.0 nM 486.58 CCCCNC(=O)c1ccc2c(ccn2-c2ncc3c(n2)N(c2ccn(C)n2)C(CC)C(=O)N3C)c1 Homo sapiens CHEMBL4143483 assay 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 = 167.3 nM 598.72 CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(F)c(C(=O)NCCN4CCN(C)CC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL2401957 OBDepict H 3 C N O N N H 3 C N N CH 3 N N N N H IC50 = 168.0 nM 415.46 CCC1C(=O)N(C)c2cnc(-c3cn[nH]c3-c3ccccn3)nc2N1c1cnn(C)c1 Homo sapiens CHEMBL2406852 single protein format
CHEMBL491021 OBDepict NH 2 O Cl N O N NH H 3 C H IC50 = 172.0 nM 420.9 C[C@H](Nc1cc2c(-c3cc(Cl)cc(CCC(N)=O)c3)noc2cn1)c1ccccc1 Homo sapiens CHEMBL991583 single protein format
CHEMBL4168834 OBDepict CH 3 HN S O O N H N N N N H 3 C N O N CH 3 CH 3 IC50 = 189.6 nM 484.59 CCCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(c2ccn(C)n2)C(CC)C(=O)N3C)cc1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4176689 OBDepict CH 3 HN S O O N H N N N N H 3 C N O N CH 3 CH 3 IC50 = 190.7 nM 498.61 CCCCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(c2ccn(C)n2)C(CC)C(=O)N3C)cc1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4175615 OBDepict HO NH S O O N H N N N N CH 3 N O N CH 3 H 3 C IC50 = 192.0 nM 500.59 CCC1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCCCO)cc3)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4566834 OBDepict OH O HN N H O N N CH 3 N N CH 3 H O H 3 C IC50 = 195.9 nM 468.56 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 197.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL973458 single protein format
CHEMBL3702566 OBDepict F S O N CH 3 N N N H N H IC50 = 201.0 nM 417.47 Cn1c(=O)c(Sc2ccc(F)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 Homo sapiens CHEMBL3706119 single protein format
CHEMBL1272089 OBDepict H 3 C N N N O NH 2 N N H O F F F IC50 = 206.0 nM 404.35 Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3OC(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1272695 single protein format
CHEMBL4161027 OBDepict H 3 C NH O N N N N N CH 3 N O N CH 3 CH 3 IC50 = 206.7 nM 472.55 CCCNC(=O)c1ccc2c(ccn2-c2ncc3c(n2)N(c2ccn(C)n2)C(CC)C(=O)N3C)c1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4164433 OBDepict CH 3 N O N N N CH 3 N H 3 C N N N H O H 3 C IC50 = 217.7 nM 444.5 CCC1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NC)ccc43)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4519294 OBDepict HO O HN N H O N N N N O CH 3 H O H 3 C IC50 = 230.9 nM 538.65 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCOCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 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 = 238.0 nM 448.53 COc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109142 single protein format
CHEMBL4168951 OBDepict H 3 C HN O N N N N N CH 3 N O N CH 3 H 3 C IC50 = 242.5 nM 458.53 CCNC(=O)c1ccc2c(ccn2-c2ncc3c(n2)N(c2ccn(C)n2)C(CC)C(=O)N3C)c1 Homo sapiens CHEMBL4143483 assay format
CHEMBL1099104 OBDepict CH 3 O N H N N N CH 3 N O H 2 N IC50 = 261.0 nM 362.39 CC(=O)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2 Homo sapiens CHEMBL1109142 single protein format
CHEMBL4449123 OBDepict HO O HN N H O N N N N N CH 3 CH 3 CH 3 H O H 3 C IC50 = 265.1 nM 525.65 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCN(C)C)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL4461041 OBDepict OH O HN O NH 2 N N N N CH 3 H O H 3 C IC50 = 290.5 nM 454.53 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(N)=O)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL4165409 OBDepict CH 3 N O N N N H 3 C N CH 3 N N H S HN O O CH 3 H 3 C IC50 = 311.0 nM 498.61 CCC1C(=O)N(C)c2cnc(Nc3ccc(S(=O)(=O)NCC(C)C)cc3)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4545446 OBDepict HO O N H NH O N N CH 3 N N CH 3 H O H 3 C IC50 = 314.2 nM 482.59 CCNC(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)[C@H](CC)C(=O)N3C)c(OCCO)c1 Homo sapiens CHEMBL4409681 assay format
CHEMBL1793896 OBDepict CH 2 N N N O H 2 N N N H O N F F F N CH 3 IC50 = 335.0 nM 514.51 C=Cn1nc(C(N)=O)c2c1-c1nc(Nc3cc(N4CCN(C)CC4)ccc3OC(F)(F)F)ncc1CC2 Homo sapiens CHEMBL1272695 single protein format
CHEMBL4450624 OBDepict HO O N H HN O N N N N N CH 3 H CH 3 O CH 3 IC50 = 338.7 nM 551.69 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format
CHEMBL3747595 OBDepict H 3 C O S O O O N H 3 C N N N H N H IC50 = 350.0 nM 461.5 COc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5[nH]ccc5c4)nc3n(C)c2=O)cc1 Homo sapiens CHEMBL3750037 single protein format
CHEMBL4164991 OBDepict H 3 C H N O N N H 3 C N N IC50 = 354.7 nM 375.48 CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4ccccc43)nc2N1C1CCCC1 Homo sapiens CHEMBL4143483 assay format
CHEMBL3745885 OBDepict F F S O O O N CH 3 N N N H N H IC50 = 374.0 nM 467.46 Cn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 Homo sapiens CHEMBL3750020 single protein format
CHEMBL4172312 OBDepict H 3 C N O N N N H 3 C N CH 3 N N O NH 2 IC50 = 384.3 nM 430.47 CCC1C(=O)N(C)c2cnc(-n3ccc4cc(C(N)=O)ccc43)nc2N1c1ccn(C)n1 Homo sapiens CHEMBL4143483 assay format
CHEMBL4529398 OBDepict HO O N H HN O N N N N N CH 3 H O CH 3 O IC50 = 385.3 nM 567.69 CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCN4CCOCC4)cc3OCCO)nc2N1C1CCCC1 Homo sapiens CHEMBL4409681 assay format