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O00444 | PLK4_HUMAN | Serine/threonine-protein kinase PLK4 (PLK4)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Polo-box domain" // POLO_box_3 ]

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[ Domain: "Polo-box domain" // POLO_box_Plk4_1 ]

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[ Domain: "Polo-box domain" // POLO_box_Plk4_2 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL3408945 OBDepict CH 3 O N CH 3 O H N H N N O Ki = 0.1 nM 520.63 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2C Homo sapiens CHEMBL3411683 single protein format
CHEMBL3408947 OBDepict H 3 C O HN O H N H N N H CH 3 O H CH 3 Ki = 0.26 nM 534.66 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3411683 single protein format
CHEMBL2407898 OBDepict CH 3 O HN O N H N N H 3 C CH 3 IC50 = 0.32 nM 450.54 COc1ccc2c(c1)/C(=Cc1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL2410318 assay format
CHEMBL3408955 OBDepict CH 3 O NH O H N H N N H CH 3 H CH 3 N H 3 C IC50 = 0.39 nM 547.7 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5[C@@H](C)CN(C)C[C@H]5C)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3411381 single protein format
CHEMBL2407894 OBDepict CH 3 O HN O N H N N IC50 = 0.45 nM 394.43 COc1ccc2c(c1)/C(=Cc1ccc3c(/C=C/c4ccncc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL2410318 assay format
CHEMBL4553351 OBDepict CH 3 O NH O H N H N N HN IC50 = 0.45 nM 465.56 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL2407748 OBDepict CH 3 O HN O N H N N IC50 = 0.48 nM 394.43 COc1ccc2c(c1)/C(=Cc1ccc3c(/C=C/c4cccnc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL2410318 assay format
CHEMBL3408944 OBDepict H 3 C O HN O H N H N N IC50 = 0.6 nM 504.63 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCCCC5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3411381 single protein format
CHEMBL2407900 OBDepict H 3 C O N H O N H N N N N H 3 C IC50 = 0.61 nM 492.58 COc1ccc2c(c1)/C(=Cc1ccc3c(/C=C/c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL2410318 assay format
CHEMBL3408954 OBDepict H N N H O HN N H H 3 C N H CH 3 CH 3 IC50 = 0.64 nM 517.68 C[C@H]1CN(Cc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)C[C@@H](C)N1C Homo sapiens CHEMBL3411381 single protein format
CHEMBL3353351 OBDepict H 3 C N CH 3 N N H H O NH H 3 C IC50 = 0.71 nM 448.57 Cc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3364610 assay format
CHEMBL3408946 OBDepict O NH H N H N N H CH 3 O H H 3 C Ki = 0.73 nM 504.63 C[C@H]1CN(Cc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)C[C@@H](C)O1 Homo sapiens CHEMBL3411683 single protein format
CHEMBL3353352 OBDepict H 3 C N H 3 C N N H H O NH F IC50 = 0.79 nM 452.53 CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(F)cc45)ccc23)cc1 Homo sapiens CHEMBL3364610 assay format
CHEMBL2407744 OBDepict O N H N H N O OH IC50 = 0.82 nM 407.43 O=C1Nc2ccccc2/C1=Cc1ccc2c(/C=C/c3ccc(C(=O)O)cc3)n[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL2407895 OBDepict HO NH O N H N N IC50 = 0.9 nM 380.41 O=C1Nc2ccc(O)cc2/C1=Cc1ccc2c(/C=C/c3ccncc3)n[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL3408941 OBDepict O NH H N H N N HN IC50 = 0.9 nM 461.57 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(N4CCNCC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL4448596 OBDepict CH 3 O NH O H N H N N N H 3 C IC50 = 0.94 nM 479.58 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL4516793 OBDepict CH 3 O NH O H N H N N N N H 3 C IC50 = 1.0 nM 480.57 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL3408956 OBDepict CH 3 N O N N H H O HN IC50 = 1.1 nM 490.61 CN1CCC(Oc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)CC1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL3353348 OBDepict CH 3 O NH O H N H N N CH 3 H 3 C IC50 = 1.1 nM 464.57 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3364610 assay format
CHEMBL4440053 OBDepict CH 3 O NH O H N H N N H CH 3 HN H H 3 C IC50 = 1.2 nM 493.61 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5C[C@H](C)N[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL3353350 OBDepict H 3 C N H 3 C N N H H O NH Cl IC50 = 1.2 nM 468.99 CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(Cl)cc45)ccc23)cc1 Homo sapiens CHEMBL3364610 assay format
CHEMBL4470693 OBDepict OH N N N N H H O N H O H 3 C IC50 = 1.2 nM 509.61 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(CCO)CC5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL3353361 OBDepict O NH H N H N N IC50 = 1.3 nM 460.58 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCCC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL3364610 assay format
CHEMBL3408945 OBDepict CH 3 O N CH 3 O H N H N N O IC50 = 1.3 nM 520.63 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2C Homo sapiens CHEMBL3411381 single protein format
CHEMBL3408940 OBDepict CH 3 N N N N N H H O N H 3 C IC50 = 1.3 nM 490.61 CN1CCN(c2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)N(C)c5ccccc56)ccc34)cn2)CC1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL3408942 OBDepict CH 3 N CH 3 N N H H O N H 3 C IC50 = 1.4 nM 448.57 CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)N(C)c4ccccc45)ccc23)cc1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL3353346 OBDepict H 3 C O HN O H N H N N N IC50 = 1.4 nM 505.62 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCCCC5)nc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3364610 assay format
CHEMBL2407899 OBDepict CH 3 N N N N N H O HN IC50 = 1.4 nM 462.56 CN1CCN(c2ccc(/C=C/c3n[nH]c4cc(/C=C5/C(=O)Nc6ccccc65)ccc34)cn2)CC1 Homo sapiens CHEMBL2410318 assay format
CHEMBL2407893 OBDepict H 3 C NH O N H N N IC50 = 1.4 nM 378.44 Cc1ccc2c(c1)/C(=Cc1ccc3c(/C=C/c4ccncc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL2410318 assay format
CHEMBL3353347 OBDepict CH 3 N CH 3 N N H H O HN IC50 = 1.4 nM 434.54 CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1 Homo sapiens CHEMBL3364610 assay format
CHEMBL3408957 OBDepict CH 3 N CH 3 O N N H H O HN IC50 = 1.5 nM 518.66 CC(C)N1CCC(Oc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)CC1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL3408951 OBDepict CH 3 O N CH 3 O H N H N N CH 3 H O IC50 = 1.5 nM 534.66 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc([C@H](C)N5CCOCC5)cc4)n[nH]c3c1)C(=O)N2C Homo sapiens CHEMBL3411381 single protein format
CHEMBL4437913 OBDepict CH 3 O NH O H N H N F N H 3 C IC50 = 1.5 nM 496.59 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(C5(F)CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL4440812 OBDepict CH 3 N N N N H H O HN O H 3 C IC50 = 1.6 nM 493.61 CCN1CCN(c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccc(OC)cc56)ccc34)cc2)CC1 Homo sapiens CHEMBL4430364 single protein format
CHEMBL2407747 OBDepict CH 3 HN O N H N N IC50 = 1.6 nM 392.46 CCc1ccc2c(c1)/C(=Cc1ccc3c(/C=C/c4cccnc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL2410318 assay format
CHEMBL3353342 OBDepict H N N H N O NH IC50 = 1.6 nM 378.44 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3cccnc3)n[nH]c2c1 Homo sapiens CHEMBL3364610 assay format
CHEMBL3408953 OBDepict H N N H O HN N O IC50 = 1.7 nM 490.61 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCCOCC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL4461353 OBDepict CH 3 O NH O H N H N N N HO IC50 = 1.7 nM 481.56 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCC(O)CC5)nc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL3353360 OBDepict CH 3 N CH 3 N N H H O HN IC50 = 1.8 nM 462.6 CCN(CC)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1 Homo sapiens CHEMBL3364610 assay format
CHEMBL2407897 OBDepict H 3 C N CH 3 N N H O N H IC50 = 2.0 nM 420.52 CN(C)Cc1ccc(/C=C/c2n[nH]c3cc(/C=C4/C(=O)Nc5ccccc54)ccc23)cc1 Homo sapiens CHEMBL2410318 assay format
CHEMBL3353353 OBDepict CH 3 NH O H N H N N CH 3 H 3 C IC50 = 2.0 nM 462.6 CCc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3364610 assay format
CHEMBL3353345 OBDepict O N H H N H N N N IC50 = 2.0 nM 475.6 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCCCC4)nc3)n[nH]c2c1 Homo sapiens CHEMBL3364610 assay format
CHEMBL2407746 OBDepict O N H N H N N IC50 = 2.0 nM 364.41 O=C1Nc2ccccc2/C1=Cc1ccc2c(/C=C/c3cccnc3)n[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL4457197 OBDepict CH 3 O NH O H N H N N N N H 3 C IC50 = 2.1 nM 480.57 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccnc(N5CCN(C)CC5)c4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL3353355 OBDepict H 3 C O HN O H N H N N O IC50 = 2.2 nM 506.61 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3364610 assay format
CHEMBL3353341 OBDepict CH 3 O NH O H N H N N N N H 3 C IC50 = 2.2 nM 506.61 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3364610 assay format
CHEMBL3353354 OBDepict O N H H N H N N O IC50 = 2.3 nM 476.58 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCOCC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL3364610 assay format
CHEMBL2407750 OBDepict Cl NH O N H N N IC50 = 2.3 nM 398.85 O=C1Nc2ccc(Cl)cc2/C1=Cc1ccc2c(/C=C/c3ccncc3)n[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL3353359 OBDepict CH 3 N N N N H H O HN IC50 = 2.4 nM 489.62 CN1CCN(Cc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)CC1 Homo sapiens CHEMBL3364610 assay format
CHEMBL4434704 OBDepict CH 3 O HN O N H N N N N CH 3 IC50 = 2.4 nM 466.55 COc1ccc2c(c1)C(=Cc1ccc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL3353349 OBDepict H 3 C N H 3 C N N H H O NH O F F IC50 = 2.6 nM 500.55 CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccc(OC(F)F)cc45)ccc23)cc1 Homo sapiens CHEMBL3364610 assay format
CHEMBL3408947 OBDepict H 3 C O HN O H N H N N H CH 3 O H CH 3 IC50 = 2.8 nM 534.66 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3411381 single protein format
CHEMBL1990583 OBDepict O N H N H F N H O N H 2 N N N IC50 < 3.0 nM 405.39 Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 Homo sapiens CHEMBL2064941 single protein format
CHEMBL302449 OBDepict N N N H 3 C N H O Ki = 3.4 nM 378.44 Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O Homo sapiens CHEMBL2410100 single protein format
CHEMBL3353358 OBDepict CH 3 O NH O H N H N F F N O IC50 = 3.4 nM 542.59 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4cc(F)c(CN5CCOCC5)c(F)c4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3364610 assay format
CHEMBL3353340 OBDepict H N N H O NH N IC50 = 3.6 nM 378.44 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccncc3)n[nH]c2c1 Homo sapiens CHEMBL3364610 assay format
CHEMBL3408943 OBDepict O NH H N H N N H F IC50 = 3.8 nM 478.57 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CC[C@@H](F)C4)cc3)n[nH]c2c1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL1289926 OBDepict H 3 C N H O S N H N N Ki = 4.2 nM 386.48 CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 Homo sapiens CHEMBL2410100 single protein format
CHEMBL3353343 OBDepict CH 3 N N N H H O HN IC50 = 4.6 nM 392.46 Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)cn1 Homo sapiens CHEMBL3364610 assay format
CHEMBL4590185 OBDepict CH 3 O NH O H N H N N N O IC50 = 4.6 nM 467.53 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCOCC5)nc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL3353356 OBDepict F HN O H N H N N O IC50 = 4.9 nM 494.57 O=C1Nc2ccc(F)cc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCOCC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL3364610 assay format
CHEMBL3408952 OBDepict O NH H N H N N O IC50 = 5.2 nM 502.62 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CC5CCC(C4)O5)cc3)n[nH]c2c1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL2407749 OBDepict O N H N H N N IC50 = 5.4 nM 364.41 O=C1Nc2ccccc2/C1=Cc1ccc2c(/C=C/c3ccncc3)n[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL3408948 OBDepict CH 3 O N CH 3 O H N H N N H H 3 C O H H 3 C IC50 = 5.7 nM 548.69 COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5C[C@H](C)O[C@H](C)C5)cc4)n[nH]c3c1)C(=O)N2C Homo sapiens CHEMBL3411381 single protein format
CHEMBL4475381 OBDepict CH 3 N N N N N H H O HN F IC50 = 5.9 nM 468.54 CN1CCN(c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccc(F)cc56)ccc34)cn2)CC1 Homo sapiens CHEMBL4430364 single protein format
CHEMBL3353344 OBDepict CH 3 N H 3 C N N H H O HN IC50 = 6.3 nM 406.49 Cc1ccc(/C=C/c2n[nH]c3cc([C@@H]4C[C@@]45C(=O)Nc4ccccc45)ccc23)c(C)n1 Homo sapiens CHEMBL3364610 assay format
CHEMBL3353362 OBDepict O N H H N H N N IC50 = 6.7 nM 474.61 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3ccc(CN4CCCCC4)cc3)n[nH]c2c1 Homo sapiens CHEMBL3364610 assay format
CHEMBL2205426 OBDepict O O N H N H CH 3 H 3 C CH 3 N N N H N Ki = 7.0 nM 414.47 CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4ccncc4)cc3)n2)c(=O)c1=O Homo sapiens CHEMBL2210937 single protein format
CHEMBL3353357 OBDepict CH 3 HN O H N H N N O IC50 = 7.2 nM 490.61 Cc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(/C=C/c4ccc(CN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL3364610 assay format
CHEMBL3408946 OBDepict O NH H N H N N H CH 3 O H H 3 C IC50 = 7.4 nM 504.63 C[C@H]1CN(Cc2ccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cc2)C[C@@H](C)O1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL3408949 OBDepict O N H H N H N N O IC50 = 7.6 nM 476.58 O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(/C=C/c3cccc(CN4CCOCC4)c3)n[nH]c2c1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 9.49 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328583 single protein format
CHEMBL1980391 OBDepict H 3 C O F NH N N N H H 3 C Cl Ki = 11.0 nM 356.79 COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2 Homo sapiens CHEMBL2410100 single protein format
CHEMBL572878 OBDepict CH 3 N N N S N HN N N CH 3 H N H O Ki = 11.0 nM 464.6 Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 Homo sapiens CHEMBL2410100 single protein format
CHEMBL4437872 OBDepict CH 3 N N N N N H O N H IC50 = 13.0 nM 436.52 CN1CCN(c2ccc(-c3n[nH]c4cc(C=C5C(=O)Nc6ccccc65)ccc34)cn2)CC1 Homo sapiens CHEMBL4430364 single protein format
CHEMBL2407745 OBDepict O N H N H N N IC50 = 13.0 nM 364.41 O=C1Nc2ccccc2/C1=Cc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL3408950 OBDepict O HN H N H N N H CH 3 O H CH 3 IC50 = 20.0 nM 504.63 C[C@H]1CN(Cc2cccc(/C=C/c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)c2)C[C@@H](C)O1 Homo sapiens CHEMBL3411381 single protein format
CHEMBL2407901 OBDepict CH 3 O O O HN O N N CH 3 N N N H CH 3 Ki = 25.0 nM 454.53 COCCOc1ccc2cc1OCC(=O)N(C)CCCN(C)Cc1c[nH]c3ncnc(c13)N2 Homo sapiens CHEMBL2410100 single protein format
CHEMBL4579738 OBDepict O N H N H N N IC50 = 29.0 nM 338.37 O=C1Nc2ccccc2C1=Cc1ccc2c(-c3cccnc3)n[nH]c2c1 Homo sapiens CHEMBL4430364 single protein format
CHEMBL4467348 OBDepict CH 3 O NH O H N H N N N N H 3 C IC50 = 30.0 nM 480.57 COc1ccc2c(c1)[C@@]1(C[C@@H]1c1ccc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL4430364 single protein format
CHEMBL2407896 OBDepict O N H N H N IC50 = 42.0 nM 363.42 O=C1Nc2ccccc2/C1=Cc1ccc2c(/C=C/c3ccccc3)n[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL3969370 OBDepict CH 2 NH O NH O N H N N N N CH 3 CH 3 O H 3 C IC50 = 43.5 nM 533.59 C=CC(=O)Nc1ccc(C(=O)Nc2ccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)cc2)cc1 Homo sapiens CHEMBL4185648 single protein format
CHEMBL1289926 OBDepict H 3 C N H O S N H N N IC50 = 46.0 nM 386.48 CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL2407916 OBDepict CH 3 O HN O N H N IC50 = 47.0 nM 291.31 COc1ccc2c(c1)/C(=Cc1ccc3cn[nH]c3c1)C(=O)N2 Homo sapiens CHEMBL2410318 assay format
CHEMBL4546145 OBDepict CH 3 N N N N N H H O HN IC50 = 54.0 nM 450.55 CN1CCN(c2ccc(-c3n[nH]c4cc([C@@H]5C[C@@]56C(=O)Nc5ccccc56)ccc34)cn2)CC1 Homo sapiens CHEMBL4430364 single protein format
CHEMBL2407914 OBDepict Cl NH O N H N IC50 = 54.0 nM 295.73 O=C1Nc2ccc(Cl)cc2/C1=Cc1ccc2cn[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL2407912 OBDepict F NH O N H N IC50 = 60.0 nM 279.27 O=C1Nc2ccc(F)cc2/C1=Cc1ccc2cn[nH]c2c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL4449539 OBDepict O N H N H N N H IC50 = 64.0 nM 326.36 O=C1Nc2ccccc2C1=Cc1ccc2c(-c3ccc[nH]3)n[nH]c2c1 Homo sapiens CHEMBL4430364 single protein format
CHEMBL4206831 OBDepict CH 3 NH O NH O N H N N N N CH 3 CH 3 O H 3 C IC50 = 82.0 nM 535.61 CCC(=O)Nc1ccc(C(=O)Nc2ccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)cc2)cc1 Homo sapiens CHEMBL4185648 single protein format
CHEMBL3330409 OBDepict H 3 C N N H O H 3 C CH 3 N N H S O O NH 2 IC50 = 83.0 nM 477.59 CCc1ccccc1C(C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)N(C)C Homo sapiens CHEMBL3367526 single protein format
CHEMBL3330410 OBDepict O N H N S N N H S O O NH 2 IC50 = 89.0 nM 481.6 NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccsc4)N4CCCC4)cc23)c1 Homo sapiens CHEMBL3367526 single protein format
CHEMBL2407902 OBDepict CH 3 N N NH N N N H O HN Ki = 100.0 nM 497.65 CN1CCN(Cc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)CNC(=O)[C@@H]2CCCN2C3)CC1 Homo sapiens CHEMBL2410100 single protein format
CHEMBL3422092 OBDepict HO H N H N N H N H O H N IC50 = 130.0 nM 493.61 O=C(N[C@@H](c1ccccn1)C1CC1)c1ccc2[nH]nc(-c3ccc(N4[C@H]5CC[C@H]4CC(O)C5)cc3)c2c1 Homo sapiens CHEMBL3423973 single protein format
CHEMBL3330260 OBDepict H 3 C N H N H O H 3 C N N H S O O NH 2 IC50 = 130.0 nM 463.56 CCc1cccc(CC)c1NC(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1 Homo sapiens CHEMBL3367526 single protein format
CHEMBL4562664 OBDepict O N H N H N N IC50 = 220.0 nM 338.37 O=C1Nc2ccccc2C1=Cc1ccc2c(-c3ccncc3)n[nH]c2c1 Homo sapiens CHEMBL4430364 single protein format
CHEMBL313578 OBDepict HO O N H IC50 = 230.0 nM 237.26 O=C1Nc2ccccc2/C1=C/c1ccc(O)cc1 Homo sapiens CHEMBL2410318 assay format
CHEMBL72365 OBDepict I N H O Br Br HO IC50 = 230.0 nM 520.95 O=C1Nc2ccc(I)cc2/C1=C/c1cc(Br)c(O)c(Br)c1 Homo sapiens CHEMBL2410318 assay format
CHEMBL3353337 OBDepict O N H N H N IC50 = 230.0 nM 261.28 O=C1Nc2ccccc2/C1=C/c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL3364610 assay format
CHEMBL2407913 OBDepict F NH O N H N IC50 = 240.0 nM 279.27 O=C1Nc2ccc(F)cc2/C1=C/c1ccc2cn[nH]c2c1 Homo sapiens CHEMBL2410318 assay format