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Q9HAZ1 | CLK4_HUMAN | Dual specificity protein kinase CLK4 (CLK4)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL3746678 OBDepict CH 3 O N N CH 3 H 3 C N H N H 3 C CH 3 N IC50 = 4.0 nM 465.6 CCc1cc2c(cc1-c1cnn(CCCN(C)C)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3748849 single protein format
CHEMBL4083249 OBDepict F N CH 3 H N N N N O IC50 = 8.0 nM 409.42 C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccc5ocnc5c4)cc3c21 Homo sapiens CHEMBL4014115 cell-based format
CHEMBL4064608 OBDepict H N N N N H O H H N O IC50 = 8.0 nM 385.51 c1nc(N[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 Homo sapiens CHEMBL4027016 cell-based format
CHEMBL1474834 OBDepict H 3 C S N N CH 3 N N O O IC50 = 11.0 nM 390.47 Cc1nc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1591577 OBDepict CH 3 N N S N O O IC50 = 12.0 nM 375.45 CN(Cc1cccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL4754195 OBDepict CH 3 N N N O N IC50 = 12.0 nM 352.4 Cn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1 Homo sapiens CHEMBL4728305 single protein format
CHEMBL3735401 OBDepict CH 3 O N N CH 3 H 3 C N H N O H 3 C H 3 C N IC50 = 14.0 nM 465.56 CCc1cc2c(cc1-c1cnn(CC(=O)N(C)C)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3748849 single protein format
CHEMBL1515144 OBDepict H 3 C N N S N O O IC50 = 14.0 nM 389.48 CCN(Cc1cccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1473127 OBDepict H 3 C O NH N N O O IC50 = 15.0 nM 359.39 Cc1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)o1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL4762964 OBDepict CH 3 N N N O N N H IC50 = 15.0 nM 341.37 Cn1cc(-c2ccc3occ(-c4cccc(-c5cc[nH]n5)c4)c3n2)cn1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL4853178 OBDepict CH 3 O N H O N N N IC50 = 17.0 nM 408.46 COc1ccc(CNC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1 Homo sapiens CHEMBL4815945 single protein format
CHEMBL4797457 OBDepict H 3 C N N O N N N H 3 C IC50 = 17.0 nM 355.4 Cn1cc(-c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)cn1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL3774448 OBDepict S N H S O N IC50 = 17.8 nM 272.35 O=C1NC(=S)S/C1=Cc1ccc2ncccc2c1 Homo sapiens CHEMBL3778450 assay format
CHEMBL4789951 OBDepict CH 3 N N N O N N H IC50 = 19.0 nM 341.37 Cn1cc(-c2ccc3occ(-c4cccc(-c5cn[nH]c5)c4)c3n2)cn1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL4783398 OBDepict CH 3 + N N O _ O N N O N N NH Cl IC50 = 20.0 nM 487.91 Cc1ccc(-n2cc(COc3cccc4cnc(Nc5cccc(Cl)c5)nc34)nn2)c([N+](=O)[O-])c1 Homo sapiens CHEMBL4689202 single protein format
CHEMBL1877990 OBDepict N N H N N O O IC50 = 20.0 nM 306.32 c1cncc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL1396483 OBDepict CH 3 N N N S N O O IC50 = 20.0 nM 376.44 CN(Cc1nccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL3885036 OBDepict H 3 C O N H N N O H N IC50 = 21.0 nM 316.32 COc1ccc2[nH]c3c(=O)[nH]c(-c4cccnc4)c(C#N)c3c2c1 Homo sapiens CHEMBL3875861 assay format
CHEMBL3885335 OBDepict CH 3 O N H NH N O H 3 C IC50 = 22.0 nM 331.38 COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 Homo sapiens CHEMBL3875861 assay format
CHEMBL4104657 OBDepict NH 2 N H Cl N N N N H N H H 3 C CH 3 H NH 2 IC50 = 28.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL1318637 OBDepict CH 3 N N S N CH 3 O O IC50 = 29.0 nM 389.48 Cc1ccsc1CN(C)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1552755 OBDepict O HN N N O O IC50 = 29.0 nM 349.39 c1nc(NCC2CCCO2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1892019 OBDepict Cl Cl N H N N N N H IC50 = 30.0 nM 370.24 Clc1ccc(CNc2nccc(-c3ccc4[nH]ncc4c3)n2)cc1Cl Homo sapiens CHEMBL2394343 single protein format
CHEMBL3884821 OBDepict H 3 C O N H N O CH 3 N IC50 = 30.0 nM 303.32 COc1ccc2c(c1)[nH]c1c3c(OC)cncc3cc(C#N)c21 Homo sapiens CHEMBL3875861 assay format
CHEMBL4750420 OBDepict H N N N O IC50 = 31.0 nM 311.34 c1ccc2cc(-c3coc4ccc(-c5cn[nH]c5)nc34)ccc2c1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL4067013 OBDepict H 3 C NH O N H Cl N N N N H N H H 3 C CH 3 H H 2 N IC50 = 31.0 nM 456.98 CC(=O)Nc1cc(Cl)cc(Nc2nc(N[C@H]3CCCC[C@H]3N)nc3c2ncn3C(C)C)c1 Homo sapiens CHEMBL4003771 single protein format
CHEMBL3775393 OBDepict S N H S O S N IC50 = 31.8 nM 278.38 O=C1NC(=S)S/C1=Cc1ccc2ncsc2c1 Homo sapiens CHEMBL3778450 assay format
CHEMBL3894571 OBDepict CH 3 O F N H N N S N O NH CH 3 IC50 = 32.0 nM 383.41 COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1 Homo sapiens CHEMBL4719519 single protein format
CHEMBL3883660 OBDepict N N N H O CH 3 IC50 = 33.0 nM 273.3 COc1ccc2c(c1)[nH]c1c3ccncc3cc(C#N)c21 Homo sapiens CHEMBL3875861 assay format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 33.6 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328376 single protein format
CHEMBL1407164 OBDepict H N N N H N N O O IC50 = 34.0 nM 345.36 c1c[nH]c(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1396654 OBDepict CH 3 S N H N N O O IC50 = 35.0 nM 375.45 Cc1ccsc1CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1374544 OBDepict CH 3 N N O N O O IC50 = 36.0 nM 359.39 CN(Cc1ccco1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1704879 OBDepict H 3 C N S N CH 3 N N O O IC50 = 37.0 nM 390.47 Cc1csc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL3885431 OBDepict N N N H O CH 3 IC50 = 40.0 nM 273.3 COc1cccc2c1[nH]c1c3ccncc3cc(C#N)c21 Homo sapiens CHEMBL3875861 assay format
CHEMBL2392365 OBDepict Br Br NH N N O O IC50 = 40.0 nM 463.13 Brc1cc(Br)cc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL1898197 OBDepict Cl Cl NH N N O O IC50 = 40.0 nM 374.23 Clc1ccc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)cc1Cl Homo sapiens CHEMBL2394347 single protein format
CHEMBL1435542 OBDepict H 3 C S N N H N N O O IC50 = 40.0 nM 376.44 Cc1nc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1894742 OBDepict H N N N N N H N IC50 = 40.0 nM 302.34 c1cncc(CNc2nccc(-c3ccc4cn[nH]c4c3)n2)c1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL4790030 OBDepict H N N N O IC50 = 41.0 nM 261.28 c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL1357975 OBDepict N H N O N O O IC50 = 42.0 nM 359.39 c1coc(CCNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL4743730 OBDepict H N N N O CH 2 H 3 C IC50 = 42.0 nM 301.35 C=C(C)c1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL4790791 OBDepict CH 3 N N O N N N H IC50 = 45.0 nM 265.28 Cn1cc(-c2coc3ccc(-c4cn[nH]c4)nc23)cn1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL1437638 OBDepict H 3 C N O N N CH 3 N N O O IC50 = 45.0 nM 375.39 Cc1nnc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)o1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL4743939 OBDepict CH 3 O O N N N H IC50 = 46.0 nM 291.31 COc1ccc(-c2coc3ccc(-c4cn[nH]c4)nc23)cc1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL1476499 OBDepict CH 3 O N H N N O O IC50 = 47.0 nM 359.39 Cc1occc1CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL3753668 OBDepict N N H N N IC50 = 47.0 nM 246.27 N#C/C(=Cc1cccnc1)c1c[nH]c2ncccc12 Homo sapiens CHEMBL3875861 assay format
CHEMBL3885316 OBDepict N N N N H O CH 3 IC50 = 47.0 nM 274.28 COc1ccc2c(n1)[nH]c1c3ccncc3cc(C#N)c21 Homo sapiens CHEMBL3875861 assay format
CHEMBL4066861 OBDepict Cl N H N N N N H N H CH 3 H 3 C H H 2 N IC50 = 50.0 nM 399.93 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL2392364 OBDepict Cl Cl NH N N O O IC50 = 50.0 nM 374.23 Clc1cc(Cl)cc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL2392363 OBDepict Cl HN N N O O IC50 = 50.0 nM 339.78 Clc1ccc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL1705549 OBDepict N S HN N N O O IC50 = 50.0 nM 362.41 c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL4791451 OBDepict CH 3 N N N O NH IC50 = 52.0 nM 358.45 Cn1cc(-c2ccc3occ(-c4cccc(C5CCNCC5)c4)c3n2)cn1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL4078898 OBDepict NH 2 N H Cl N N N N H N H H 3 C CH 3 H NH 2 IC50 = 54.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL3883639 OBDepict N N N H O CH 3 IC50 = 57.0 nM 273.3 COc1ccc2[nH]c3c4ccncc4cc(C#N)c3c2c1 Homo sapiens CHEMBL3875861 assay format
CHEMBL2386747 OBDepict CH 3 O HN N S N N H N Cl Cl IC50 = 59.0 nM 404.28 COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1 Homo sapiens CHEMBL4719519 single protein format
CHEMBL1902528 OBDepict H N N N N HN N IC50 = 60.0 nM 302.34 c1cncc(CNc2nccc(-c3ccc4[nH]ncc4c3)n2)c1 Homo sapiens CHEMBL2394343 single protein format
CHEMBL4064123 OBDepict NH 2 N H Cl N N N N H N H CH 3 H 3 C N H IC50 = 61.0 nM 400.92 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCNC3)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL1357018 OBDepict N N H N N O O IC50 = 63.0 nM 306.32 c1cncc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL566900 OBDepict O HN N N O O IC50 = 63.0 nM 345.36 c1nc(NCc2ccoc2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 Homo sapiens CHEMBL1039032 single protein format
CHEMBL567331 OBDepict S HN N N O O IC50 = 63.0 nM 361.43 c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 Homo sapiens CHEMBL1039032 single protein format
CHEMBL4094492 OBDepict H 3 C NH O N H Cl N N N N H N H H 3 C CH 3 H H 2 N IC50 = 64.0 nM 456.98 CC(=O)Nc1cc(Cl)cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nc3c2ncn3C(C)C)c1 Homo sapiens CHEMBL4003771 single protein format
CHEMBL4073318 OBDepict Cl N H N N N N H N H CH 3 H 3 C H H 2 N IC50 = 70.0 nM 399.93 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL1551169 OBDepict CH 3 CH 3 CH 3 N H N N O O IC50 = 70.0 nM 335.41 CC(C)(C)CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1868723 OBDepict F F F N H N N O O IC50 = 70.0 nM 359.31 FC(F)(F)c1cccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL3884570 OBDepict N N H N N O CH 3 IC50 = 71.0 nM 276.3 COc1ccc2c(/C(C#N)=C/c3cccnc3)c[nH]c2n1 Homo sapiens CHEMBL3875861 assay format
CHEMBL4102101 OBDepict NH 2 N H Cl N N N N H N H CH 3 H 3 C N H IC50 = 77.0 nM 386.89 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCNC3)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL1725513 OBDepict O HN N N O O IC50 = 79.0 nM 345.36 c1coc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1899256 OBDepict Br Br NH N N O O IC50 = 80.0 nM 463.13 Brc1ccc(CNc2nccc(-c3ccc4c(c3)OCO4)n2)cc1Br Homo sapiens CHEMBL2394347 single protein format
CHEMBL1476609 OBDepict OH O N N N CH 3 S H 3 C IC50 = 81.0 nM 365.46 Cc1ccsc1CN(C)c1ncnc2ccc(-c3ccc(CO)o3)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL4088144 OBDepict Cl N H N N N N H N H CH 3 H 3 C H H 2 N IC50 = 86.0 nM 399.93 CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL1535925 OBDepict CH 3 O O O N N N H S IC50 = 88.0 nM 379.44 CCOC(=O)c1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL583144 OBDepict Cl S N Cl N O H Ki = 89.6 nM 271.13 O=c1[nH]cnc2c1sc1c(Cl)ccc(Cl)c12 Homo sapiens CHEMBL1060309 single protein format
CHEMBL1354134 OBDepict HN N N O O IC50 = 90.0 nM 347.42 c1nc(NCC2CCCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL4290222 OBDepict H 3 C N O N H H N H N N N O IC50 = 99.0 nM 426.57 CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnn4ccc(C5CCOCC5)c34)CC2)CC1 Homo sapiens CHEMBL4266502 assay format
CHEMBL3884250 OBDepict N N N O H CH 3 IC50 = 100.0 nM 273.3 COc1cccc2[nH]c3c4ccncc4cc(C#N)c3c12 Homo sapiens CHEMBL3875861 assay format
CHEMBL566701 OBDepict N N H N N O O IC50 = 100.0 nM 356.39 c1cncc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 Homo sapiens CHEMBL1039032 single protein format
CHEMBL4091876 OBDepict NH 2 N H Cl N N N N H N H CH 3 H 3 C N H IC50 = 102.0 nM 400.92 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@@H]3CCCNC3)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL1724489 OBDepict CH 3 O HN N N O O HO IC50 = 104.0 nM 349.35 Cc1ccc(CNc2ncnc3ccc(-c4ccc(C(=O)O)o4)cc23)o1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL367625 OBDepict H 3 C N N N N NH N H H H NH 2 Cl IC50 = 104.0 nM 385.9 CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL3884627 OBDepict CH 3 O N H O H 2 N N IC50 = 110.0 nM 291.31 COc1cccc2c1[nH]c1c3ccncc3cc(C(N)=O)c21 Homo sapiens CHEMBL3875861 assay format
CHEMBL3883448 OBDepict CH 3 O N N H N IC50 = 110.0 nM 225.25 COc1ccc2c(-c3ccncc3)c[nH]c2n1 Homo sapiens CHEMBL3875861 assay format
CHEMBL579001 OBDepict O NH N N O IC50 = 111.0 nM 291.31 c1coc(-c2ccc3ncnc(NCc4ccoc4)c3c2)c1 Homo sapiens CHEMBL1039032 single protein format
CHEMBL4741919 OBDepict CH 3 N O N N N CH 3 IC50 = 116.0 nM 372.47 CN1CCC(c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)CC1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL1599314 OBDepict H 3 C S NH N N O O IC50 = 117.0 nM 375.45 Cc1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)s1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1397614 OBDepict H 3 C N N N N N H O O IC50 = 120.0 nM 359.39 CN(Cc1ncc[nH]1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1904905 OBDepict Cl Cl NH N N O O IC50 = 120.0 nM 388.25 Clc1ccc(CNc2nccc(-c3ccc4c(c3)OCCO4)n2)cc1Cl Homo sapiens CHEMBL2394347 single protein format
CHEMBL1885536 OBDepict N N H N O O O O IC50 = 120.0 nM 335.32 c1cc(-c2ccc3c(c2)OCO3)nc(Nc2ccc3c(c2)OCO3)n1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL2392367 OBDepict Cl Cl HN N N N H N IC50 = 123.0 nM 370.24 Clc1ccc(CNc2nccc(-c3ccc4cn[nH]c4c3)n2)cc1Cl Homo sapiens CHEMBL2394343 single protein format
CHEMBL4082309 OBDepict NH 2 N H Cl N N N N H N H H 3 C CH 3 H NH 2 IC50 = 124.0 nM 414.95 CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(N[C@H]3CCCC[C@@H]3N)nc21 Homo sapiens CHEMBL4003771 single protein format
CHEMBL4778370 OBDepict H N N N O IC50 = 126.0 nM 337.38 c1ccc(-c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)cc1 Homo sapiens CHEMBL4739018 single protein format
CHEMBL565856 OBDepict CH 3 N H N N O O IC50 = 126.0 nM 369.42 Cc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 Homo sapiens CHEMBL1039032 single protein format
CHEMBL566722 OBDepict F N H N N O O IC50 = 126.0 nM 373.39 Fc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 Homo sapiens CHEMBL1039032 single protein format
CHEMBL1555138 OBDepict F O O N N NH S IC50 = 128.0 nM 379.42 Fc1c(-c2ccc3ncnc(NCc4cccs4)c3c2)ccc2c1OCO2 Homo sapiens CHEMBL1771958 single protein format
CHEMBL1885748 OBDepict Cl Cl N H N N O O IC50 = 130.0 nM 374.23 Clc1cc(Cl)cc(CNc2ncncc2-c2ccc3c(c2)OCO3)c1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL2392368 OBDepict Br NH F F F N N O O IC50 = 130.0 nM 438.2 FC(F)(F)c1cc(Br)cc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)c1 Homo sapiens CHEMBL2394347 single protein format
CHEMBL3884015 OBDepict N N N N H IC50 = 130.0 nM 244.26 N#Cc1cc2cnccc2c2[nH]c3ncccc3c12 Homo sapiens CHEMBL3875861 assay format
CHEMBL1604618 OBDepict OH O N N HN O H 3 C IC50 = 136.0 nM 335.36 Cc1ccc(CNc2ncnc3ccc(-c4ccc(CO)o4)cc23)o1 Homo sapiens CHEMBL1771958 single protein format
CHEMBL566914 OBDepict F HN N N O IC50 = 141.0 nM 319.34 Fc1cccc(CNc2ncnc3ccc(-c4ccco4)cc23)c1 Homo sapiens CHEMBL1039032 single protein format
CHEMBL1436585 OBDepict O HN N N O O IC50 = 141.0 nM 349.39 c1nc(NCC2CCOC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 Homo sapiens CHEMBL1771958 single protein format