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P01116 | RASK_HUMAN | GTPase KRas (KRAS)

3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // Ras ]

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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
CHEMBL4855757 OBDepict F N O N N N F N NH OH IC50 = 0.1 nM 572.66 Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCN4C(CF)CC5)nc3c2F)c2ccccc2c1 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4857438 OBDepict OH N Cl F N N N O N H N H F IC50 = 0.2 nM 593.08 Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(Cl)cccc2c1 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4863339 OBDepict HC N OH F N N N O N H N IC50 = 0.3 nM 564.67 C#Cc1cccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4876040 OBDepict CH N HO F N N N O N H N H F IC50 = 0.4 nM 582.66 C#Cc1cccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)c12 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4859236 OBDepict HO N Cl F N N N O N H N IC50 = 0.4 nM 575.09 Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCN4CCC5)nc3c2F)c2c(Cl)cccc2c1 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4857719 OBDepict OH N Cl F F N N N O N H N IC50 = 0.5 nM 593.08 Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OCC45CCCN4CCC5)nc3c2F)c2c(Cl)c(F)ccc2c1 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4876243 OBDepict CH 3 O N O N N N F N N H HO F IC50 = 0.6 nM 588.66 COC1CN2CCCC2(COc2nc(N3CC4CCC(C3)N4)c3cnc(-c4cc(O)cc5cccc(F)c45)c(F)c3n2)C1 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4874297 OBDepict OH N F F F N N N O N H N H F IC50 = 0.6 nM 594.61 Oc1cc(-c2ncc3c(N4CC5CCC(C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c2c(F)c(F)ccc2c1 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4867851 OBDepict HC F N OH F N N N O N H N IC50 = 0.6 nM 582.66 C#Cc1c(F)ccc2cc(O)cc(-c3ncc4c(N5CC6CCC(C5)N6)nc(OCC56CCCN5CCC6)nc4c3F)c12 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4632935 OBDepict N H N N O N CH 2 O N N H N H 3 C CH 3 IC50 = 1.0 nM 565.72 C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4612347 cell-based format
CHEMBL4648852 OBDepict N H N N O N CH 2 O N N H N H 3 C Cl IC50 = 1.0 nM 586.14 C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4612347 cell-based format
CHEMBL4857517 OBDepict OH N H 3 C N N N O N H N O IC50 = 3.2 nM 570.74 Cc1cccc2cc(O)cc(N3CCc4c(nc(OCC5(CN6CCOCC6)CC5)nc4N4CC5CCC(C4)N5)C3)c12 Homo sapiens CHEMBL4837101 assay format
CHEMBL4866126 OBDepict CH 2 N O N H H 3 C N O N N F N CH 3 CH 3 F O IC50 = 4.3 nM 586.64 C=CC(=O)N1CCN(c2nc(=O)n3c4nc(c(F)cc24)-c2c(F)cccc2OCCCc2ccnc(C(C)C)c2-3)[C@@H](C)C1 Homo sapiens CHEMBL4825224 single protein format
CHEMBL4876344 OBDepict CH 2 N O N N N N O Cl CH 3 N F CH 3 CH 3 IC50 = 4.4 nM 571.06 C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1 Homo sapiens CHEMBL4845546 single protein format
CHEMBL4860377 OBDepict N H N N O H 2 C N N H O N CH 3 HN H 3 C IC50 = 4.5 nM 591.76 C=CC(=O)N1CCN(c2cc(C(=O)NC3(CC)CCNC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4810876 single protein format
CHEMBL4866701 OBDepict N H N N O CH 2 N HN O N N H 3 C H 3 C IC50 = 4.8 nM 591.76 C=CC(=O)N1CCN(c2cc(C(=O)NCC3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4810876 single protein format
CHEMBL4461434 OBDepict CH 2 N O H H 3 C H N O N CH 3 N Cl F OH F IC50 < 5.0 nM 498.92 C=CC(=O)N1C[C@@H]2C(=O)N(C)c3cnc4c(F)c(-c5c(O)cccc5F)c(Cl)cc4c3N2C[C@H]1C Homo sapiens CHEMBL4404192 assay format
CHEMBL4852554 OBDepict H 3 C N CH 3 O N N N F NH F OH IC50 = 5.1 nM 545.63 CN(C)CC1(COc2nc(N3CC4CCC(C3)N4)c3cc(F)c(-c4cc(O)cc5ccccc45)c(F)c3n2)CC1 Homo sapiens CHEMBL4837101 assay format
CHEMBL4847146 OBDepict N H N N O CH 2 N NH O N CH 3 N H H 3 C IC50 = 5.4 nM 591.76 C=CC(=O)N1CCN(c2cc(C(=O)NC3(C)CCCNC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4810876 single protein format
CHEMBL4646899 OBDepict N H N N O N H 2 C O N N H N CH 3 CH 3 IC50 = 6.0 nM 579.75 C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(CC)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4612347 cell-based format
CHEMBL4852249 OBDepict N H N N O CH 2 N NH O N H N H CH 3 IC50 = 6.2 nM 577.73 C=CC(=O)N1CCN(c2cc(C(=O)NC[C@H]3CCCN3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4810876 single protein format
CHEMBL4456801 OBDepict H 2 C N O N N O N Cl CH 3 H 3 C H 3 C N N H IC50 = 8.0 nM 567.09 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4c(C)ccc5[nH]ncc45)c(Cl)cc23)CC1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4847011 OBDepict N H N N O CH 2 F N N H O N H 3 C H N CH 3 H 3 C CH 3 IC50 = 8.3 nM 597.74 C=C(F)C(=O)N1CCN(c2cc(C(=O)N[C@H](C)CN(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4810876 single protein format
CHEMBL4847380 OBDepict N H N N O CH 2 N HN O N NH CH 3 IC50 = 8.3 nM 591.76 C=CC(=O)N1CCN(c2cc(C(=O)NCC3CCCCN3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4810876 single protein format
CHEMBL3958857 OBDepict Cl HN O O P O O OH P O O OH H O H OH H N H OH N N H 2 N N O H Ki = 9.0 nM 562.75 Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCNC(=O)CCl)[C@@H](O)[C@H]2O)c(=O)[nH]1 Homo sapiens CHEMBL3871145 assay format
CHEMBL4648671 OBDepict N H N N O N CH 2 O N N H N H 3 C IC50 = 10.0 nM 551.7 C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccccc24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4612347 cell-based format
CHEMBL4539214 OBDepict H 2 C N O N H CH 3 N O N N Cl CH 3 N H 3 C CH 3 OH F IC50 = 11.0 nM 577.06 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4568148 OBDepict CH 2 N O N H O N N H N Cl H 3 C N N N H IC50 = 12.0 nM 599.14 C=CC(=O)N1CCN2c3nc(NC4CCN(C5CC5)CC4)nc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)c(c34)OC[C@@H]2C1 Homo sapiens CHEMBL4385318 single protein format
CHEMBL4475526 OBDepict H 2 C N O N H O N N Cl H 3 C N N H IC50 = 12.0 nM 460.93 C=CC(=O)N1CCN2c3ncnc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)c(c34)OC[C@@H]2C1 Homo sapiens CHEMBL4385318 single protein format
CHEMBL4648056 OBDepict N N N O N CH 2 O N N H N H 3 C IC50 = 14.0 nM 551.7 C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccccc24)C3)CC1CC#N Homo sapiens CHEMBL4612347 cell-based format
CHEMBL3577123 OBDepict CH 3 N H N N N CH 3 NH F N H O H 3 C CH 3 H 3 C IC50 = 16.0 nM 410.5 CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cnc2n1 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL4591572 OBDepict CH 2 N O N H O N Cl F OH F IC50 = 16.0 nM 457.86 C=CC(=O)N1CCN2c3c(cnc4c(F)c(-c5c(O)cccc5F)c(Cl)cc34)OC[C@H]2C1 Homo sapiens CHEMBL4404192 assay format
CHEMBL4452974 OBDepict CH 2 N O N H O N CH 3 N Cl F OH F IC50 = 18.0 nM 484.89 C=CC(=O)N1CCN2c3c(cnc4c(F)c(-c5c(O)cccc5F)c(Cl)cc34)N(C)C(=O)[C@H]2C1 Homo sapiens CHEMBL4404192 assay format
CHEMBL4566835 OBDepict H 2 C N O N H O N N H N Cl N H 3 C H 3 C CH 3 N N H IC50 = 18.0 nM 547.06 C=CC(=O)N1CCN2c3nc(NCCN(C)C)nc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)c(c34)OC[C@@H]2C1 Homo sapiens CHEMBL4385318 single protein format
CHEMBL4852058 OBDepict O N H O N N O N N Cl CH 3 N H 3 C H 3 C F IC50 = 18.0 nM 549.01 Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CC(NC(=O)C3CO3)C2)c2cc(Cl)c(-c3ccccc3F)nc21 Homo sapiens CHEMBL4828600 single protein format
CHEMBL4853619 OBDepict H 3 C N H H F O N N N N N H OH Br IC50 = 18.5 nM 597.53 CN1C[C@H](F)C[C@H]1COc1nc2c(c(N3CC4CCC(C3)N4)n1)CCN(c1cc(O)cc3cccc(Br)c13)C2 Homo sapiens CHEMBL4837101 assay format
CHEMBL4872788 OBDepict F N N O N N N N H H F IC50 = 20.1 nM 544.65 Fc1c(-c2cccc3c2CC2CC32)ncc2c(N3CC4CCC(C3)N4)nc(OC[C@@]34CCCN3C[C@H](F)C4)nc12 Homo sapiens CHEMBL4845550 single protein format
CHEMBL4443236 OBDepict H 2 C N O N H O N N N Cl N H 3 C CH 3 H 3 C N N H IC50 = 21.0 nM 559.07 C=CC(=O)N1CCN2c3nc(N4CC(N(C)C)C4)nc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)c(c34)OC[C@@H]2C1 Homo sapiens CHEMBL4385318 single protein format
CHEMBL4648124 OBDepict N H N N O N H 2 C O N N H N CH 3 O CH 3 IC50 = 22.0 nM 581.72 C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(OC)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4612347 cell-based format
CHEMBL4452137 OBDepict H 2 C N O N H CH 3 N O N N Cl CH 3 H 3 C CH 3 OH F IC50 = 25.0 nM 576.07 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4849074 OBDepict H 3 C CH 3 N N CH 3 O N N N Cl H CH 3 F N O H O IC50 = 27.0 nM 577.06 Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)[C@H]3CO3)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21 Homo sapiens CHEMBL4828600 single protein format
CHEMBL4449810 OBDepict H 2 C N O N H CH 3 N O N Cl H 3 C CH 3 OH F IC50 = 28.0 nM 561.06 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4452819 OBDepict CH 2 N O N H O N N Cl F OH F IC50 = 29.0 nM 458.85 C=CC(=O)N1CCN2c3ncnc4c(F)c(-c5c(O)cccc5F)c(Cl)c(c34)OC[C@@H]2C1 Homo sapiens CHEMBL4385318 single protein format
CHEMBL4450793 OBDepict CH 2 N O N H O N N Cl OH Cl IC50 = 32.0 nM 457.32 C=CC(=O)N1CCN2c3ncnc4cc(-c5c(O)cccc5Cl)c(Cl)c(c34)OC[C@@H]2C1 Homo sapiens CHEMBL4385318 single protein format
CHEMBL4527861 OBDepict H 2 C N O N H CH 3 N O N N Cl CH 3 N N H 3 C CH 3 OH F IC50 = 38.0 nM 578.05 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL3577120 OBDepict CH 3 NH N N H 3 C NH F NH O H 3 C H 3 C CH 3 IC50 = 46.0 nM 409.51 CNc1cc2nc(C)c(-c3ccc(F)c(NC(=O)NCCC(C)(C)C)c3)cc2cn1 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL4465551 OBDepict CH 2 N O N H H 3 C N O N Cl CH 3 CH 3 F IC50 = 47.0 nM 545.06 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL3577119 OBDepict CH 3 N H N N N H 3 C N H F N H O H 3 C CH 3 H 3 C IC50 = 48.0 nM 410.5 CNc1ncc2cc(-c3ccc(F)c(NC(=O)NCCC(C)(C)C)c3)c(C)nc2n1 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL4450657 OBDepict H 2 C N O N H CH 3 N O N N Cl H 3 C CH 3 OH F IC50 = 51.0 nM 562.05 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4455191 OBDepict H 2 C N O H CH 3 H N O N Cl OH F IC50 = 52.0 nM 453.9 C=CC(=O)N1C[C@@H]2COc3cnc4cc(-c5c(O)cccc5F)c(Cl)cc4c3N2C[C@H]1C Homo sapiens CHEMBL4404192 assay format
CHEMBL4516179 OBDepict CH 2 N O N H H 3 C N O N N Cl N H 3 C N CH 3 H 3 C OH F IC50 = 53.0 nM 566.04 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cnn3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4591772 OBDepict CH 2 N O N H H 3 C N O N N Cl CH 3 CH 3 Cl IC50 = 56.0 nM 562.5 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL3577114 OBDepict H 3 C N H N N O H O NH F NH O O N CH 3 CH 3 H 3 C IC50 = 57.0 nM 520.57 CNc1cc2c(cn1)cc(-c1ccc(F)c(NC(=O)Nc3cc(C(C)(C)C)no3)c1)c(=O)n2[C@H]1CCOC1 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL4640234 OBDepict N H N N O N CH 2 O N N H N H 3 C N IC50 = 64.0 nM 576.71 C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C#N)c24)C3)C[C@@H]1CC#N Homo sapiens CHEMBL4612347 cell-based format
CHEMBL4578214 OBDepict CH 2 N O N H H 3 C N O N N Cl CH 3 N CH 3 CH 3 OH F IC50 = 65.0 nM 577.06 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4450519 OBDepict CH 2 N O N H H 3 C N O N N Cl CH 3 CH 3 F IC50 = 66.0 nM 546.05 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4554946 OBDepict CH 2 N O N H H 3 C N O N N Cl H 3 C CH 3 OH F IC50 = 68.0 nM 576.07 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(CC)cccc3CC)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4535757 OBDepict H 2 C N O N H CH 3 N O N N F CH 3 N H 3 C CH 3 OH F IC50 = 68.0 nM 560.61 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4439782 OBDepict CH 2 N O N N O N N Cl CH 3 CH 3 OH F IC50 = 69.0 nM 548.02 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)CC1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4456598 OBDepict CH 2 N O N N O N N H N CH 3 OH IC50 = 70.0 nM 528.66 C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2cc(O)cc4ccccc24)C3)CC1 Homo sapiens CHEMBL4329928 cell-based format
CHEMBL4572730 OBDepict CH 2 N O N H O N Cl O CH 3 OH F IC50 = 70.0 nM 469.9 C=CC(=O)N1CCN2c3c(cnc4c(OC)c(-c5c(O)cccc5F)c(Cl)cc34)OC[C@H]2C1 Homo sapiens CHEMBL4404192 assay format
CHEMBL4453777 OBDepict CH 2 N O N H O N H N Cl OH F IC50 = 73.0 nM 452.87 C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(O)cccc5F)c(Cl)cc34)NC(=O)[C@H]2C1 Homo sapiens CHEMBL4404192 assay format
CHEMBL4469638 OBDepict CH 2 N O N N O N Cl CH 3 CH 3 F IC50 = 80.0 nM 531.03 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4ccccc4F)c(Cl)cc23)CC1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4483782 OBDepict CH 2 N O N H O N Cl CH 3 N N H IC50 = 81.0 nM 459.94 C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)OC[C@H]2C1 Homo sapiens CHEMBL4404192 assay format
CHEMBL4573279 OBDepict CH 2 N O N H H 3 C N O N N Cl S N CH 3 H 3 C OH F IC50 = 81.0 nM 569.06 C=CC(=O)N1CCN(c2nc(=O)n(-c3scnc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4467518 OBDepict H 2 C N O N H CH 3 N O N N Cl N H 3 C CH 3 OH F IC50 = 83.0 nM 563.03 C=CC(=O)N1CCN(c2nc(=O)n(-c3ncccc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4452622 OBDepict H 2 C N O N H CH 3 N O N N F CH 3 H 3 C CH 3 OH F IC50 = 90.0 nM 559.62 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL3577115 OBDepict H 3 C N H N N CH 3 O NH F NH O O N CH 3 CH 3 H 3 C IC50 = 91.0 nM 478.53 CCn1c(=O)c(-c2ccc(F)c(NC(=O)Nc3cc(C(C)(C)C)no3)c2)cc2cnc(NC)cc21 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL4877899 OBDepict CH 3 O N O N H CH 3 N O N N Cl H 3 C N H 3 C CH 3 F IC50 = 96.0 nM 591.09 Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)C3OC3C)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21 Homo sapiens CHEMBL4828600 single protein format
CHEMBL4455938 OBDepict CH 2 N O N H O N N Cl OH F IC50 = 97.0 nM 440.86 C=CC(=O)N1CCN2c3ncnc4cc(-c5c(O)cccc5F)c(Cl)c(c34)OC[C@@H]2C1 Homo sapiens CHEMBL4385318 single protein format
CHEMBL4567284 OBDepict CH 2 N O N H O N Cl H 3 C OH F IC50 = 97.0 nM 453.9 C=CC(=O)N1CCN2c3c(cnc4c(C)c(-c5c(O)cccc5F)c(Cl)cc34)OC[C@H]2C1 Homo sapiens CHEMBL4404192 assay format
CHEMBL4517656 OBDepict CH 2 N O N N O N Cl CH 3 CH 3 OH F IC50 = 101.0 nM 547.03 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4541628 OBDepict CH 2 N O N H O N CH 3 CH 3 N O Br O H 3 C IC50 = 109.0 nM 579.5 C=CC(=O)N1CC(NC(=O)Cn2c(C)c(C(=O)N3CCc4c(cccc4OC)C3)c3cc(Br)cc(C)c32)C1 Homo sapiens CHEMBL4368372 single protein format
CHEMBL4464335 OBDepict CH 2 N O HN O N CH 3 N O Cl O H 3 C IC50 = 115.0 nM 561.08 C=CC(=O)N1CC(NC(=O)Cn2c(C3CC3)c(C(=O)N3CCc4c(cccc4OC)C3)c3cc(Cl)cc(C)c32)C1 Homo sapiens CHEMBL4368372 single protein format
CHEMBL4467413 OBDepict CH 2 N O N H H 3 C N O N N Cl CH 3 CH 3 CH 3 OH F IC50 = 117.0 nM 576.07 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL3577116 OBDepict CH 3 N H N N H 3 C O CH 3 NH F N H O H 3 C CH 3 H 3 C IC50 = 120.0 nM 453.56 CCn1c(=O)c(-c2cc(NC(=O)NCCC(C)(C)C)c(F)cc2C)cc2cnc(NC)cc21 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL3577121 OBDepict CH 3 NH N N H 3 C CH 3 N H F NH O H 3 C H 3 C CH 3 IC50 = 120.0 nM 423.54 CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)cc2cn1 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL4457820 OBDepict H 2 C N O N N N N H CH 3 H N CH 3 H 3 C Cl H 3 C N N H IC50 = 126.0 nM 549.12 C=CC(=O)N1CCN(c2nc(N3CC(N(C)C)C3)nc3c2C[C@@H](C)[C@H](c2c(Cl)c(C)cc4[nH]ncc24)C3)CC1 Homo sapiens CHEMBL4368778 cell-based format
CHEMBL4464232 OBDepict CH 2 N O N H H 3 C N O N N Cl CH 3 CH 3 OH F IC50 = 127.0 nM 562.05 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)cccc3CC)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4441771 OBDepict H 2 C N O N H CH 3 N O N N F CH 3 N N H 3 C CH 3 OH F IC50 = 128.0 nM 561.59 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C)ncnc3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4461913 OBDepict CH 2 N O N H N CH 3 N Cl OH F IC50 = 132.0 nM 452.92 C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(O)cccc5F)c(Cl)cc34)N(C)C[C@H]2C1 Homo sapiens CHEMBL4404192 assay format
CHEMBL4579956 OBDepict CH 2 N O HN O N N O Br O H 3 C IC50 = 139.0 nM 591.51 C=CC(=O)N1CC(NC(=O)Cn2c(C3CC3)c(C(=O)N3CCc4c(cccc4OC)C3)c3cc(Br)ccc32)C1 Homo sapiens CHEMBL4368372 single protein format
CHEMBL4458041 OBDepict CH 2 N O N H H 3 C N O N N F CH 3 N CH 3 CH 3 OH F IC50 = 142.0 nM 560.61 C=CC(=O)N1CCN(c2nc(=O)n(-c3c(C(C)C)ccnc3C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4450041 OBDepict CH 2 N O N H H 3 C N O N N Cl CH 3 CH 3 OH IC50 = 146.0 nM 544.06 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3nc(-c4ccccc4O)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4551121 OBDepict CH 2 N O N H O N CH 3 N Cl OH F IC50 = 150.0 nM 466.9 C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(O)cccc5F)c(Cl)cc34)N(C)C(=O)[C@H]2C1 Homo sapiens CHEMBL4404192 assay format
CHEMBL4591653 OBDepict CH 2 N O N H O N CH 3 CH 3 N O Cl O H 3 C IC50 = 150.0 nM 535.04 C=CC(=O)N1CC(NC(=O)Cn2c(C)c(C(=O)N3CCc4c(cccc4OC)C3)c3cc(Cl)cc(C)c32)C1 Homo sapiens CHEMBL4368372 single protein format
CHEMBL3577124 OBDepict CH 3 N H N N N H 3 C CH 3 NH F N H O H 3 C CH 3 H 3 C IC50 = 150.0 nM 424.52 CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL3577117 OBDepict CH 3 HN N N CH 3 H 3 C N H F HN O HO H CH 3 CH 3 CH 3 IC50 = 160.0 nM 439.54 CNc1cc2nc(C)c(-c3cc(NC(=O)NC[C@@H](O)C(C)(C)C)c(F)cc3C)cc2cn1 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL4528930 OBDepict CH 2 N O N H H 3 C N O N N Cl N N CH 3 H 3 C OH F IC50 = 164.0 nM 552.01 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccnn3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4467039 OBDepict H 2 C N O N N N N H CH 3 H N CH 3 H 3 C Cl N N H IC50 = 169.0 nM 535.1 C=CC(=O)N1CCN(c2nc(N3CC(N(C)C)C3)nc3c2C[C@@H](C)[C@H](c2c(Cl)ccc4[nH]ncc24)C3)CC1 Homo sapiens CHEMBL4368778 cell-based format
CHEMBL4457550 OBDepict CH 2 N O N H O N CH 3 N O Br O H 3 C IC50 = 174.0 nM 565.47 C=CC(=O)N1CC(NC(=O)Cn2cc(C(=O)N3CCc4c(cccc4OC)C3)c3cc(Br)cc(C)c32)C1 Homo sapiens CHEMBL4368372 single protein format
CHEMBL4456368 OBDepict CH 2 N O N H O N Cl OH F IC50 = 211.0 nM 439.87 C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(O)cccc5F)c(Cl)cc34)OC[C@H]2C1 Homo sapiens CHEMBL4404192 assay format
CHEMBL4466335 OBDepict CH 2 N O N N O N H H 3 C H N CH 3 CH 3 H 3 C N N H IC50 = 214.0 nM 517.68 C=CC(=O)N1CCN(c2nc(OCCCN(C)C)nc3c2C[C@@H](C)[C@H](c2c(C)ccc4[nH]ncc24)C3)CC1 Homo sapiens CHEMBL4368778 cell-based format
CHEMBL4454645 OBDepict CH 2 N O N H H 3 C N O N Cl CH 3 CH 3 Cl IC50 = 220.0 nM 561.51 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C(C)C)c3cc(-c4ccccc4Cl)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357259 cell-based format
CHEMBL4549665 OBDepict CH 2 N O N H H 3 C N O N N Cl OH F IC50 = 225.0 nM 560.03 C=CC(=O)N1CCN(c2nc(=O)n(-c3ccccc3C3CC3)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1 Homo sapiens CHEMBL4357258 single protein format
CHEMBL4873683 OBDepict O N O N H 3 C N O N N Cl H 3 C N H 3 C CH 3 F IC50 = 227.0 nM 563.03 Cc1ccnc(C(C)C)c1-n1c(=O)nc(N(C)C2CN(C(=O)C3CO3)C2)c2cc(Cl)c(-c3ccccc3F)nc21 Homo sapiens CHEMBL4828600 single protein format
CHEMBL4473733 OBDepict CH 2 N O N N O N H H 3 C H H N H 3 C CH 3 N N H IC50 = 236.0 nM 529.69 C=CC(=O)N1CCN(c2nc(OC[C@H]3CCCN3C)nc3c2C[C@@H](C)[C@H](c2c(C)ccc4[nH]ncc24)C3)CC1 Homo sapiens CHEMBL4368778 cell-based format
CHEMBL4645768 OBDepict CH 2 N O N N O N N H N H 3 C CH 3 CH 3 N N H IC50 = 254.0 nM 530.68 C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)c(C)cc4[nH]ncc24)C3)CC1 Homo sapiens CHEMBL4612347 cell-based format
CHEMBL3577118 OBDepict CH 3 HN N N CH 3 H 3 C N H HN O CH 3 CH 3 CH 3 IC50 = 270.0 nM 405.55 CNc1cc2nc(C)c(-c3cc(NC(=O)NCCC(C)(C)C)ccc3C)cc2cn1 Homo sapiens CHEMBL3578339 cell-based format
CHEMBL3922435 OBDepict CH 2 N H O O P O O OH P O O OH H O H HO H N H HO N N H 2 N N O H Ki = 280.0 nM 540.32 C=CC(=O)NCCOP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O Homo sapiens CHEMBL3871145 assay format