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P36639 | 8ODP_HUMAN | Oxidized purine nucleoside triphosphate hydrolase (NUDT1)

3D structures mapped by conservation among orthologs

[ Domain: "Nudix" // NUDIX ]

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[ Domain: "Nudix" // NUDIX_1 ]

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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
CHEMBL4436749 OBDepict CH 3 NH O N HN CH 3 CH 3 Ki = 0.0017 nM 295.39 CC(=O)Nc1cc2c(c(-c3cccc(C)c3C)n1)CCCN2 Homo sapiens CHEMBL4345262 assay format
CHEMBL4436749 OBDepict CH 3 NH O N HN CH 3 CH 3 IC50 = 0.043 nM 295.39 CC(=O)Nc1cc2c(c(-c3cccc(C)c3C)n1)CCCN2 Homo sapiens CHEMBL4345255 assay format
CHEMBL4468099 OBDepict CH 3 HN HN O N NH CH 3 H 3 C IC50 < 0.05 nM 310.4 CNC(=O)Nc1cc2c(c(-c3cccc(C)c3C)n1)CCCN2 Homo sapiens CHEMBL4345255 assay format
CHEMBL4455353 OBDepict NH 2 HN O N HN CH 3 CH 3 IC50 < 0.05 nM 296.37 Cc1cccc(-c2nc(NC(N)=O)cc3c2CCCN3)c1C Homo sapiens CHEMBL4345255 assay format
CHEMBL4451394 OBDepict O N H N NH H 3 C H 3 C IC50 < 0.05 nM 335.45 Cc1cccc(-c2nc(NC(=O)C3CCC3)cc3c2CCCN3)c1C Homo sapiens CHEMBL4345255 assay format
CHEMBL4570266 OBDepict O N H N N H CH 3 CH 3 IC50 = 0.06 nM 321.42 Cc1cccc(-c2nc(NC(=O)C3CC3)cc3c2CCCN3)c1C Homo sapiens CHEMBL4345255 assay format
CHEMBL4778773 OBDepict CH 3 HN O N N H O O H 3 C N N H 3 C IC50 = 0.08 nM 435.53 CNC(=O)c1cnc2cc(OC)c(OCN3CCN(C)CC3)cc2c1Nc1ccccc1 Homo sapiens CHEMBL4673830 single protein format
CHEMBL4101983 OBDepict CH 3 N H O N H N N N IC50 < 0.1 nM 335.41 CCNC(=O)c1cc2c(N3CCCC3c3ccccn3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4073623 OBDepict O N H N H N N N IC50 < 0.1 nM 347.42 O=C(NC1CC1)c1cc2c(N3CCCC3c3ccccn3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4078783 OBDepict H 3 C N H O N H N N O IC50 < 0.1 nM 350.42 CCNC(=O)c1cc2c(N3CCOCC3c3ccccc3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4094252 OBDepict O NH N H N O N N IC50 < 0.1 nM 363.42 O=C(NC1COC1)c1cc2c(N3CCCC3c3ccccn3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4067896 OBDepict CH 3 N H O N H N N O H 3 C H 3 C H 3 C IC50 < 0.1 nM 330.43 CCNC(=O)c1cc2c(N3CCCC3C(C)(C)OC)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4070624 OBDepict CH 3 N H O N H N N O IC50 = 0.1 nM 314.39 CCNC(=O)c1cc2c(N3CCOCC3C3CC3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4083992 OBDepict O NH N H N O N N IC50 = 0.1 nM 363.42 O=C(NC1COC1)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4091768 OBDepict CH 3 N H O N H N N IC50 < 0.1 nM 334.42 CCNC(=O)c1cc2c(N3CCCC3c3ccccc3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4064004 OBDepict CH 3 N H O N H N N N IC50 < 0.1 nM 335.41 CCNC(=O)c1cc2c(N3CCCC3c3cccnc3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4460228 OBDepict O HN F F N HN CH 3 CH 3 IC50 = 0.11 nM 331.37 Cc1cccc(-c2nc(NC(=O)C(F)F)cc3c2CCCN3)c1C Homo sapiens CHEMBL4345255 assay format
CHEMBL4435945 OBDepict CH 3 O HN O N NH CH 3 H 3 C IC50 = 0.15 nM 311.39 COC(=O)Nc1cc2c(c(-c3cccc(C)c3C)n1)CCCN2 Homo sapiens CHEMBL4345255 assay format
CHEMBL4529335 OBDepict CH 3 HN O N NH CH 3 H 3 C IC50 = 0.17 nM 309.41 CCC(=O)Nc1cc2c(c(-c3cccc(C)c3C)n1)CCCN2 Homo sapiens CHEMBL4345255 assay format
CHEMBL3780962 OBDepict CH 3 N N CH 3 CH 3 H 3 C CH 3 H 2 N N IC50 = 0.2 nM 208.31 Cc1cnc(N)nc1N(C)CC(C)(C)C Homo sapiens CHEMBL3782136 single protein format
CHEMBL3781661 OBDepict CH 3 H 3 C H 3 C O N CH 3 H 2 N N IC50 = 0.2 nM 195.27 Cc1cnc(N)nc1OCC(C)(C)C Homo sapiens CHEMBL3782136 single protein format
CHEMBL4747532 OBDepict CH 3 HN N N O N N H O O IC50 = 0.3 nM 355.4 CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCCCCO2 Homo sapiens CHEMBL4673830 single protein format
CHEMBL4460446 OBDepict H 3 C NH HN N O H 3 C CH 3 CH 3 IC50 = 0.33 nM 269.35 CNc1cc(NC(C)=O)nc(-c2cccc(C)c2C)c1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4435983 OBDepict CH 3 NH N N N NH 2 CH 3 H 3 C H IC50 = 0.49 nM 257.34 CNc1cc(N(C)[C@@H](C)c2ccccc2)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL3780613 OBDepict CH 3 H 3 C H 3 C N H N CH 3 H 2 N N IC50 = 0.5 nM 194.28 Cc1cnc(N)nc1NCC(C)(C)C Homo sapiens CHEMBL3782136 single protein format
CHEMBL3792684 OBDepict CH 3 HN O N N H O O H 3 C H 3 C IC50 = 0.5 nM 337.38 CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1 Homo sapiens CHEMBL3796259 single protein format
CHEMBL3794167 OBDepict CH 3 HN N N O N N H O O O IC50 = 0.5 nM 357.37 CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCOCCO2 Homo sapiens CHEMBL3796259 single protein format
CHEMBL3780596 OBDepict OH CH 3 CH 3 N CH 3 N CH 3 H 2 N N IC50 = 0.5 nM 224.31 Cc1cnc(N)nc1N(C)CC(C)(C)CO Homo sapiens CHEMBL3782136 single protein format
CHEMBL4776026 OBDepict CH 3 HN O N HN O O CH 3 CH 3 S O O CH 3 IC50 = 0.5 nM 443.53 CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccccc1CCS(C)(=O)=O Homo sapiens CHEMBL4673830 single protein format
CHEMBL3780032 OBDepict OH H 3 C CH 3 O N CH 3 H 2 N N IC50 = 0.6 nM 211.26 Cc1cnc(N)nc1OCC(C)(C)CO Homo sapiens CHEMBL3782136 single protein format
CHEMBL4577002 OBDepict O HN CH 3 H 3 C N HN CH 3 CH 3 IC50 = 0.61 nM 323.44 Cc1cccc(-c2nc(NC(=O)C(C)C)cc3c2CCCN3)c1C Homo sapiens CHEMBL4345255 assay format
CHEMBL4537820 OBDepict CH 3 HN N N O NH 2 CH 3 H IC50 = 0.7 nM 244.3 CNc1cc(O[C@@H](C)c2ccccc2)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4565830 OBDepict H 3 C NH N N N NH 2 IC50 = 0.8 nM 207.28 CNc1cc(N2CCCCC2)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4784602 OBDepict CH 3 NH N N O N N H O O IC50 = 0.8 nM 341.37 CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCCCO2 Homo sapiens CHEMBL4673830 single protein format
CHEMBL3781316 OBDepict CH 3 NH N NH 2 N Cl Cl IC50 = 0.8 nM 269.14 CNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1 Homo sapiens CHEMBL3782137 single protein format
CHEMBL4096813 OBDepict H 3 C N H O N H N N H CH 3 O IC50 = 0.8 nM 288.35 CCNC(=O)c1cc2c(N3CCOC[C@@H]3C)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4534555 OBDepict CH 3 NH N N N NH 2 IC50 = 0.82 nM 255.32 CNc1cc(N2CCc3ccccc3C2)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4783492 OBDepict CH 3 HN O N N H F O O H 3 C H 3 C Cl IC50 = 0.9 nM 389.81 CNC(=O)c1cnc2cc(OC)c(OC)cc2c1Nc1ccc(Cl)cc1F Homo sapiens CHEMBL4673830 single protein format
CHEMBL4072758 OBDepict H N N N N IC50 = 1.0 nM 264.33 c1ccc(C2CCCN2c2ccnc3[nH]ncc23)cc1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4464305 OBDepict CH 3 NH N N N NH 2 IC50 = 1.1 nM 255.32 CNc1cc(N2CCCc3ccccc32)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4754128 OBDepict CH 3 HN N N O N N H O N H O O IC50 = 1.4 nM 370.37 CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCC(=O)NCCO2 Homo sapiens CHEMBL4673830 single protein format
CHEMBL3780321 OBDepict CH 3 H 3 C H 3 C N CH 3 H 2 N N IC50 = 1.8 nM 193.29 Cc1cnc(N)nc1CCC(C)(C)C Homo sapiens CHEMBL3782136 single protein format
CHEMBL4094381 OBDepict H N N N N O IC50 = 2.0 nM 280.33 c1ccc(C2COCCN2c2ccnc3[nH]ncc23)cc1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4749068 OBDepict CH 3 N H O N N H F Cl IC50 = 2.0 nM 329.76 CNC(=O)c1cnc2ccccc2c1Nc1ccc(Cl)cc1F Homo sapiens CHEMBL4673830 single protein format
CHEMBL3781917 OBDepict OH H 3 C CH 3 HN N CH 3 H 2 N N IC50 = 3.1 nM 210.28 Cc1cnc(N)nc1NCC(C)(C)CO Homo sapiens CHEMBL3782136 single protein format
CHEMBL4437933 OBDepict CH 3 NH N N N NH 2 IC50 = 3.7 nM 193.25 CNc1cc(N2CCCC2)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4439723 OBDepict CH 3 N N N NH 2 Cl Cl IC50 = 4.1 nM 293.16 Cc1cc(-c2cccc(Cl)c2Cl)n2nc(N)nc2c1 Homo sapiens CHEMBL4345255 assay format
CHEMBL3781015 OBDepict OH H 3 C H 3 C O N NH 2 N IC50 = 4.5 nM 237.3 CC(C)(CO)COc1nc(N)nc2c1CCC2 Homo sapiens CHEMBL3782136 single protein format
CHEMBL3782004 OBDepict NH 2 N N HN Cl Cl IC50 = 5.0 nM 295.17 Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1 Homo sapiens CHEMBL3782137 single protein format
CHEMBL4061204 OBDepict H N N N IC50 = 5.0 nM 263.34 c1ccc(C2CCCN2c2ccnc3[nH]ccc23)cc1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4089106 OBDepict H 3 C O CH 3 H 3 C N N N N H IC50 = 5.0 nM 260.34 COC(C)(C)C1CCCN1c1ccnc2[nH]ncc12 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4444960 OBDepict CH 3 HN N N N H NH 2 CH 3 H IC50 = 5.6 nM 243.31 CNc1cc(N[C@@H](C)c2ccccc2)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4476519 OBDepict CH 3 NH N O N NH 2 IC50 = 6.8 nM 216.24 CNc1cc(Oc2ccccc2)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4470452 OBDepict CH 3 NH N NH 2 N CH 3 H 3 C IC50 = 7.2 nM 228.3 CNc1cc(-c2cccc(C)c2C)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4799076 OBDepict CH 3 N H 3 C N NH 2 N IC50 = 9.0 nM 292.39 CN(C)CCc1ccc(-c2nc(N)nc3ccccc23)cc1 Homo sapiens CHEMBL4673830 single protein format
CHEMBL4758926 OBDepict CH 3 N H O N N H F Cl IC50 = 9.0 nM 279.7 CNC(=O)c1cnccc1Nc1ccc(Cl)cc1F Homo sapiens CHEMBL4673830 single protein format
CHEMBL3794132 OBDepict O N CH 3 CH 3 N NH 2 N IC50 = 9.0 nM 306.37 CN(C)C(=O)Cc1ccc(-c2nc(N)nc3ccccc23)cc1 Homo sapiens CHEMBL3796259 single protein format
CHEMBL4095468 OBDepict Cl N N H N H O IC50 = 10.0 nM 311.77 O=C(NC1CC1)c1cc2c(-c3cccc(Cl)c3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL3780307 OBDepict HO H 3 C H 3 C O N O NH 2 N H 3 C IC50 = 10.0 nM 227.26 COc1cnc(N)nc1OCC(C)(C)CO Homo sapiens CHEMBL3782136 single protein format
CHEMBL4587534 OBDepict CH 3 NH N N H N NH 2 IC50 = 12.0 nM 221.31 CNc1cc(NC2CCCCC2)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4079884 OBDepict CH 3 N H O N H N Cl IC50 = 12.0 nM 285.73 CNC(=O)c1cc2c(-c3cccc(Cl)c3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL479845 OBDepict CH 3 O O H 3 C N N H O H 2 N F Cl IC50 = 12.5 nM 375.79 COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3F)c2cc1OC Homo sapiens CHEMBL4673830 single protein format
CHEMBL4445709 OBDepict H 3 C O N N H Cl NH 2 Cl IC50 = 13.0 nM 308.17 COc1cc(-c2cccc(Cl)c2Cl)c2nc(N)[nH]c2c1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4570428 OBDepict NH 2 N N N Cl Cl IC50 = 13.0 nM 279.13 Nc1nc2cccc(-c3cccc(Cl)c3Cl)n2n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4565569 OBDepict Cl Cl N N H 2 N H IC50 = 15.0 nM 278.14 Nc1nc2c(-c3cccc(Cl)c3Cl)cccc2[nH]1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4574443 OBDepict CH 3 NH N N O NH 2 CH 3 CH 3 IC50 = 16.0 nM 244.3 CNc1cc(Oc2cccc(C)c2C)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4104130 OBDepict CH 3 N H O N H N Cl IC50 = 20.0 nM 299.76 CCNC(=O)c1cc2c(-c3cccc(Cl)c3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4568781 OBDepict CH 3 N N H Cl NH 2 Cl IC50 = 20.0 nM 292.17 Cc1cc(-c2cccc(Cl)c2Cl)c2nc(N)[nH]c2c1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4791612 OBDepict NH 2 N N IC50 = 21.0 nM 221.26 Nc1nc(-c2ccccc2)c2ccccc2n1 Homo sapiens CHEMBL4673830 single protein format
CHEMBL3781296 OBDepict HO CH 3 H 3 C O N Cl H 2 N N IC50 = 22.0 nM 231.68 CC(C)(CO)COc1nc(N)ncc1Cl Homo sapiens CHEMBL3782136 single protein format
CHEMBL4458818 OBDepict CH 3 NH N O N NH 2 IC50 = 26.0 nM 230.27 CNc1cc(OCc2ccccc2)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4066892 OBDepict H N N N N N IC50 = 30.0 nM 265.32 c1cncc(C2CCCN2c2ccnc3[nH]ncc23)c1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4561244 OBDepict F N N N N NH 2 H IC50 = 30.0 nM 229.22 Nc1nc2c(-c3ccncc3F)ccnc2[nH]1 Homo sapiens CHEMBL4395512 cell-based format
CHEMBL4093037 OBDepict H N N N O IC50 = 40.0 nM 251.29 c1ccc2c(c1)OCCN2c1ccnc2[nH]ccc12 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4578510 OBDepict CH 3 NH N N N H NH 2 CH 3 CH 3 IC50 = 40.0 nM 243.31 CNc1cc(Nc2cccc(C)c2C)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4447886 OBDepict H 2 N N N N CH 3 CH 3 IC50 = 40.0 nM 238.29 Cc1cccc(-c2cccc3nc(N)nn23)c1C Homo sapiens CHEMBL4345255 assay format
CHEMBL4532517 OBDepict CH 3 N H N H 2 N N N H 3 C CH 3 IC50 = 51.0 nM 167.22 CNc1cc(N(C)C)nc(N)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL464119 OBDepict CH 3 O OH O O CH 3 H 3 C OH O H 3 C H 3 C IC50 = 52.0 nM 410.47 COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)CCC(C)(C)O4 Homo sapiens CHEMBL4339319 cell-based format
CHEMBL3781387 OBDepict H 3 C CH 3 H 3 C O N N NH 2 IC50 = 53.0 nM 181.24 CC(C)(C)COc1ccnc(N)n1 Homo sapiens CHEMBL3782136 single protein format
CHEMBL4439595 OBDepict CH 3 NH HN N HN CH 3 CH 3 IC50 = 62.0 nM 294.4 CC(=N)Nc1cc2c(c(-c3cccc(C)c3C)n1)CCCN2 Homo sapiens CHEMBL4345255 assay format
CHEMBL4463391 OBDepict CH 3 HN O N N CH 3 H 3 C IC50 = 81.0 nM 291.35 CC(=O)Nc1cc2ncccc2c(-c2cccc(C)c2C)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL3781861 OBDepict H 3 C CH 3 H 3 C NH N N NH 2 IC50 = 84.0 nM 180.25 CC(C)(C)CNc1ccnc(N)n1 Homo sapiens CHEMBL3782136 single protein format
CHEMBL1709874 OBDepict H 2 N N N N H N N H IC50 = 100.0 nM 254.3 Nc1nc(NCCc2ccccc2)c2nc[nH]c2n1 Homo sapiens CHEMBL3877226 cell-based format
CHEMBL3883604 OBDepict H N N N N N CH 3 CH 3 CH 3 IC50 = 100.0 nM 271.37 CC1(C)CC2CC(C)(CN2c2ncnc3[nH]cnc23)C1 Homo sapiens CHEMBL3877226 cell-based format
CHEMBL3781493 OBDepict CH 3 N O N H 2 N CH 3 CH 3 CH 3 IC50 = 112.0 nM 195.27 Cc1cc(OCC(C)(C)C)nc(N)n1 Homo sapiens CHEMBL3782136 single protein format
CHEMBL3781662 OBDepict CH 3 O CH 3 CH 3 NH N N H 2 N IC50 = 120.0 nM 210.28 COCC(C)(C)CNc1ccnc(N)n1 Homo sapiens CHEMBL3782136 single protein format
CHEMBL4083139 OBDepict CH 3 N O H 2 N IC50 = 120.0 nM 224.26 Cc1cc(-c2ccccc2)c2oc(N)nc2c1 Homo sapiens CHEMBL4020047 assay format
CHEMBL4540488 OBDepict CH 3 NH N NH N O H 3 C Cl Cl IC50 = 125.0 nM 311.17 CNc1cc(-c2cccc(Cl)c2Cl)nc(NC(C)=O)n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4743321 OBDepict H 3 C N H N N O N N H O O N CH 3 O IC50 = 140.0 nM 384.4 CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCN(C)C(=O)CO2 Homo sapiens CHEMBL4673830 single protein format
CHEMBL4791011 OBDepict CH 3 N H N N O N N H O O HN O IC50 = 153.0 nM 370.37 CNc1nc2nc3c1[nH]c(=O)n3Cc1cccc(c1)OCCNC(=O)CO2 Homo sapiens CHEMBL4673830 single protein format
CHEMBL1437990 OBDepict H 2 N N N S N N H IC50 = 170.0 nM 271.35 Nc1nc(SCCc2ccccc2)c2nc[nH]c2n1 Homo sapiens CHEMBL4020047 assay format
CHEMBL4083073 OBDepict H N N N IC50 = 200.0 nM 249.32 c1ccc2c(c1)CCN(c1ccnc3[nH]ccc13)C2 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4091375 OBDepict H 3 C N H O N H N N IC50 = 200.0 nM 252.28 CNC(=O)c1cc2c(-c3cccnc3)ccnc2[nH]1 Homo sapiens CHEMBL4037917 single protein format
CHEMBL4475123 OBDepict NH 2 N N N NH 2 Cl Cl IC50 = 207.0 nM 294.15 Nc1nc2c(N)ccc(-c3cccc(Cl)c3Cl)n2n1 Homo sapiens CHEMBL4345255 assay format
CHEMBL4072600 OBDepict H N N N N IC50 = 300.0 nM 236.28 c1cnc2c(c1)CCN2c1ccnc2[nH]ccc12 Homo sapiens CHEMBL4037917 single protein format
CHEMBL3780652 OBDepict OH H 3 C CH 3 O N CH 3 N H 2 N IC50 = 302.0 nM 211.26 Cc1cc(OCC(C)(C)CO)nc(N)n1 Homo sapiens CHEMBL3782136 single protein format
CHEMBL1825141 OBDepict NH 2 N O CH 3 H N N Cl Cl F HN IC50 = 330.0 nM 450.35 C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL3796329 cell-based format
CHEMBL3781282 OBDepict HO CH 3 H 3 C NH N N NH 2 IC50 = 332.0 nM 196.25 CC(C)(CO)CNc1ccnc(N)n1 Homo sapiens CHEMBL3782136 single protein format
CHEMBL4446950 OBDepict OH N S N N H IC50 = 400.0 nM 231.28 OCc1csc(-c2ccnc3[nH]ccc23)n1 Homo sapiens CHEMBL4395512 cell-based format
CHEMBL3793901 OBDepict OH O NH N H 3 C N N O H CH 3 IC50 = 410.0 nM 316.36 COc1ccc2nc3[nH]nc(C)c3c(NCCOCCO)c2c1 Homo sapiens CHEMBL3796329 cell-based format