HOME LIGAND hPROTEOME OTHERS DOCUMENT

P25098 | ARBK1_HUMAN | Beta-adrenergic receptor kinase 1 (GRK2)

3D structures mapped by conservation among orthologs

[ Domain: "Regulator of G-protein signaling, RGS" // RGS ]

download pymol session

[ Domain: "Protein kinase" // Pkinase_Tyr,RGS ]

download pymol session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

download pymol session

[ Domain: "PH domain-like" // PH ]

download pymol session

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

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
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -19400.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804348 cell-based format
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -5100.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804348 cell-based format
CHEMBL4073882 OBDepict O HN N H F F N N N O N IC50 = 1.7 nM 462.46 O=C(NCc1c(F)cccc1F)c1cccc(NCc2nnc3n2CCOc2cnccc2-3)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4072828 OBDepict O HN N H F F F N N N O N IC50 = 1.8 nM 494.48 O=C(NCc1ccccc1C(F)(F)F)c1cccc(NCc2nnc3n2CCOc2cnccc2-3)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4086046 OBDepict H 3 C N N N HN N N N H O F F F IC50 = 1.9 nM 495.51 CCCn1c(CNc2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)nnc1-c1ccncn1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3716385 OBDepict CH 3 N H O Cl N H CH 3 CH 3 N H O N S F F F N N H IC50 = 2.0 nM 510.93 CC(=O)Nc1cc(NC(C)(C)C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3718650 OBDepict CH 3 N H O Cl N H CH 3 CH 3 N H O N S N N H IC50 = 2.8 nM 442.93 CC(=O)Nc1cc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL4095659 OBDepict H 3 C O N H O N H N N N H N IC50 = 3.0 nM 414.47 COc1ccccc1CNC(=O)c1cccc(NCc2nnc(-c3ccncc3)[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3716440 OBDepict CH 3 N H O Cl N H CH 3 CH 3 N H O N S F F F N N H IC50 = 3.2 nM 524.96 CCC(=O)Nc1cc(NC(C)(C)C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3719041 OBDepict O N H N H H 3 C H 3 C Cl O NH 2 N S F F F N N H IC50 = 3.2 nM 496.9 CC(C)(Nc1ccc(Cl)c(C(N)=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3718067 OBDepict H 3 C NH O F N H N H O N S N N H IC50 = 3.7 nM 424.46 CC(=O)Nc1cc(NC2(C(=O)Nc3nc4ccc5[nH]ncc5c4s3)CC2)ccc1F Homo sapiens CHEMBL3721218 cell-based format
CHEMBL4077447 OBDepict O HN N H Cl N N N H N IC50 = 3.9 nM 418.89 O=C(NCc1ccccc1Cl)c1cccc(NCc2nnc(-c3ccncc3)[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3718984 OBDepict Cl N H N H O N S N N H IC50 = 3.9 nM 383.86 O=C(Nc1nc2ccc3[nH]ncc3c2s1)C1(Nc2ccc(Cl)cc2)CC1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3718849 OBDepict CH 3 N H O Cl N H CH 3 CH 3 N H O N S N N H IC50 = 3.9 nM 456.96 CCC(=O)Nc1cc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3716298 OBDepict O N H N H N S OH N N Cl H IC50 = 4.0 nM 373.83 O=C(CNc1ccc(Cl)c(O)c1)Nc1nc2ccc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3719096 OBDepict CH 3 HN O Cl N H CH 3 CH 3 N H O N S F F F N N H IC50 = 4.5 nM 524.96 CCNC(=O)c1cc(NC(C)(C)C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3715310 OBDepict H 3 C N H O F HN N H O N S N N H IC50 = 4.6 nM 438.49 CCC(=O)Nc1cc(NC2(C(=O)Nc3nc4ccc5[nH]ncc5c4s3)CC2)ccc1F Homo sapiens CHEMBL3721218 cell-based format
CHEMBL4071398 OBDepict OH N N N N H N NH O F F F IC50 = 5.5 nM 496.49 O=C(NCc1ccccc1C(F)(F)F)c1cccc(NCc2nnc(-c3ccncc3)n2CCO)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4742990 OBDepict CH 3 O N N O N N H IC50 = 6.0 nM 332.36 COc1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1 Homo sapiens CHEMBL4703643 single protein format
CHEMBL4082775 OBDepict O HN N H N N H N N IC50 = 6.1 nM 384.44 O=C(NCc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3714916 OBDepict Cl N H N H O N S CH 3 N N H IC50 = 6.2 nM 397.89 Cc1cc2[nH]ncc2c2sc(NC(=O)C3(Nc4ccc(Cl)cc4)CC3)nc12 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3717041 OBDepict H 3 C NH O Cl N H H 3 C CH 3 N H O N S F F F N N H IC50 = 6.3 nM 510.93 CNC(=O)c1cc(NC(C)(C)C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3716102 OBDepict CH 3 HN O F N H CH 3 CH 3 N H O N S F F F N N H IC50 = 6.4 nM 508.5 CCNC(=O)c1cc(NC(C)(C)C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)ccc1F Homo sapiens CHEMBL3721218 cell-based format
CHEMBL4103972 OBDepict O HN HN F F N N N CH 3 N N IC50 = 6.8 nM 435.44 Cn1c(CNc2cccc(C(=O)NCc3c(F)cccc3F)c2)nnc1-c1ccncn1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3717989 OBDepict CH 3 HN O Cl N H N H O N S N N H IC50 = 7.5 nM 440.92 CNC(=O)c1cc(NC2(C(=O)Nc3nc4ccc5[nH]ncc5c4s3)CC2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL4083276 OBDepict CH 3 N N N NH N N H O IC50 = 7.5 nM 412.5 CCn1c(CNc2cccc(C(=O)NCc3ccccc3)c2)nnc1-c1ccncc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3717935 OBDepict HO O NH O Cl N H H 3 C CH 3 N H O N S F F F N N H IC50 = 7.7 nM 554.94 CC(C)(Nc1ccc(Cl)c(C(=O)NCC(=O)O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3716175 OBDepict OH O HN O Cl N H CH 3 CH 3 N H O N S F F F N N H IC50 = 7.7 nM 582.99 CC(C)(Nc1ccc(Cl)c(C(=O)NCCCC(=O)O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3716137 OBDepict HO N H N H O N S Cl N N H IC50 = 7.7 nM 387.85 O=C(Nc1nc2ccc3[nH]ncc3c2s1)C(CO)Nc1ccc(Cl)cc1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL4094447 OBDepict O NH NH F F F N N N H 3 C N N IC50 = 7.8 nM 467.46 Cn1c(CNc2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)nnc1-c1ccncn1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3718495 OBDepict OH N H CH 3 CH 3 N H O N S N N H IC50 = 7.8 nM 367.43 CC(C)(Nc1cccc(O)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3716523 OBDepict OH O NH O Cl N H H 3 C CH 3 N H O N S F F F N N H IC50 = 7.9 nM 568.97 CC(C)(Nc1ccc(Cl)c(C(=O)NCCC(=O)O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3719183 OBDepict O N H N H H 3 C N S Cl N N H IC50 = 8.0 nM 371.85 CC(Nc1ccc(Cl)cc1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3716346 OBDepict O N H N H N S N H N N Cl H O CH 3 IC50 = 8.3 nM 414.88 CC(=O)Nc1cc(NCC(=O)Nc2nc3ccc4[nH]ncc4c3s2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3716850 OBDepict CH 3 N H O F N H CH 3 CH 3 N H O N S F F F N N H IC50 = 8.3 nM 494.47 CC(=O)Nc1cc(NC(C)(C)C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)ccc1F Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3719241 OBDepict O N H N H H 3 C H 3 C OH Cl N S F F F N N H IC50 = 8.7 nM 469.88 CC(C)(Nc1ccc(Cl)c(O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3715386 OBDepict CH 3 O O Cl NH N H O N S N N H IC50 = 8.7 nM 455.93 CCOC(=O)c1cc(NC2(C(=O)Nc3nc4ccc5[nH]ncc5c4s3)CC2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3716615 OBDepict Cl N H CH 3 CH 3 N H O N S N N H IC50 = 8.8 nM 385.88 CC(C)(Nc1ccc(Cl)cc1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3716279 OBDepict O N H N H H 3 C CH 3 Cl NH O N S F F F N N H IC50 = 8.8 nM 536.97 CC(C)(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL4785990 OBDepict F N H O N N O N N H IC50 = 9.0 nM 439.45 O=C(Nc1ccc(F)cc1)c1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1 Homo sapiens CHEMBL4703614 single protein format
CHEMBL3715431 OBDepict CH 3 N H O F N H CH 3 CH 3 N H O N S F F F N N H IC50 = 9.3 nM 508.5 CCC(=O)Nc1cc(NC(C)(C)C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)ccc1F Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3717691 OBDepict O N H N H CH 3 CH 3 S O O H 2 N N S F F F N N H IC50 = 9.3 nM 498.51 CC(C)(Nc1cccc(S(N)(=O)=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3714810 OBDepict CH 3 N H O Cl N H NH O N S F F F N N H IC50 = 9.8 nM 558.97 CC(=O)Nc1cc(NC(C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)c2ccccc2)ccc1Cl Homo sapiens CHEMBL3721218 cell-based format
CHEMBL4065690 OBDepict O NH NH N H N H 3 C N IC50 = 9.9 nM 397.48 Cc1c(-c2ccncc2)n[nH]c1CNc1cccc(C(=O)NCc2ccccc2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3716786 OBDepict H 2 N O NH O Cl N H H 3 C CH 3 N H O N S F F F N N H IC50 = 9.9 nM 553.95 CC(C)(Nc1ccc(Cl)c(C(=O)NCC(N)=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL3728772 OBDepict CH 3 O HN N H O N N Ki = 10.0 nM 284.32 COc1cccc(NCC(=O)N/N=C/c2ccncc2)c1 Homo sapiens CHEMBL3734283 single protein format
CHEMBL3729453 OBDepict O NH NH N O NH 2 N Ki = 10.0 nM 297.32 NC(=O)c1cccc(NCC(=O)N/N=C/c2ccncc2)c1 Homo sapiens CHEMBL3734283 single protein format
CHEMBL3728531 OBDepict CH 3 O O N H NH O N N Ki = 10.0 nM 376.42 COc1ccc(Oc2cccc(NCC(=O)N/N=C/c3ccncc3)c2)cc1 Homo sapiens CHEMBL3734283 single protein format
CHEMBL3731835 OBDepict O HN HN N O N CH 3 Ki = 10.0 nM 360.42 Cc1ccc(Oc2cccc(NCC(=O)N/N=C/c3ccncc3)c2)cc1 Homo sapiens CHEMBL3734283 single protein format
CHEMBL4760734 OBDepict F NH O N N O N N H IC50 < 10.0 nM 453.48 O=C(NCc1ccc(F)cc1)c1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1 Homo sapiens CHEMBL4703614 single protein format
CHEMBL4745381 OBDepict H N N N O N N H O F F IC50 < 10.0 nM 471.47 O=C(NCc1c(F)cccc1F)c1cccc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1 Homo sapiens CHEMBL4703614 single protein format
CHEMBL3732468 OBDepict O NH NH N Cl Cl N H O N N O Ki = 10.0 nM 479.37 O=C(CNc1cccc(C(=O)NCCN2CCOCC2)c1)N/N=C/c1c(Cl)cncc1Cl Homo sapiens CHEMBL3734283 single protein format
CHEMBL3732726 OBDepict O HN HN N O N F F Ki = 10.0 nM 382.37 O=C(CNc1cccc(Oc2ccc(F)cc2F)c1)N/N=C/c1ccncc1 Homo sapiens CHEMBL3734283 single protein format
CHEMBL3732018 OBDepict CH 3 O HN N H O N Cl Cl N Ki = 10.0 nM 353.21 COc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 Homo sapiens CHEMBL3734283 single protein format
CHEMBL4640019 OBDepict OH N N N H N H O O IC50 = 11.0 nM 366.42 O=C(NCC1CCOCC1)c1n[nH]c2ccc(-c3cncc(CO)c3)cc12 Homo sapiens CHEMBL4615954 single protein format
CHEMBL4093075 OBDepict O NH Cl N H N N H N N IC50 = 12.0 nM 418.89 O=C(Cc1ccccc1)Nc1cc(NCc2nc(-c3ccncc3)n[nH]2)ccc1Cl Homo sapiens CHEMBL4040375 assay format
CHEMBL3716599 OBDepict H N N S N F F F NH O N H H 3 C CH 3 N Cl O N H IC50 = 12.0 nM 535.94 CC(C)(Nc1ccc(Cl)c(-n2cc[nH]c2=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 Homo sapiens CHEMBL3721218 cell-based format
CHEMBL4753687 OBDepict CH 3 N H N N O O CH 3 N N H IC50 = 12.0 nM 389.46 CNCCC(c1cccc(OC)c1)n1cnc2ccc(-c3cn[nH]c3)cc2c1=O Homo sapiens CHEMBL4703614 single protein format
CHEMBL4060973 OBDepict CH 3 O N H O N H N N N H N IC50 = 12.0 nM 414.47 COc1cccc(CNC(=O)c2cccc(NCc3nnc(-c4ccncc4)[nH]3)c2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4061438 OBDepict O NH NH Cl N N N H 3 C N IC50 = 12.0 nM 432.92 Cn1c(CNc2cccc(C(=O)NCc3ccccc3Cl)c2)nnc1-c1ccncc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4782910 OBDepict CH 3 O N H 3 C H N O N N H IC50 = 13.0 nM 346.39 COc1cccc([C@@H](C)n2cnc3ccc(-c4cn[nH]c4)cc3c2=O)c1 Homo sapiens CHEMBL4703614 single protein format
CHEMBL4082559 OBDepict CH 3 O N H HN O N N IC50 = 14.0 nM 324.38 COc1cccc(NCC(=O)N/N=C2CCCc3cnccc32)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4087117 OBDepict O HN N H N H N N IC50 = 14.0 nM 383.46 O=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)n[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4064232 OBDepict H 3 C O N N N HN N N H O IC50 = 16.0 nM 442.52 COCCn1c(CNc2cccc(C(=O)NCc3ccccc3)c2)nnc1-c1ccncc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4082853 OBDepict CH 3 O N H O N H N N N H N IC50 = 17.0 nM 414.47 COc1ccc(CNC(=O)c2cccc(NCc3nnc(-c4ccncc4)[nH]3)c2)cc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL1738877 OBDepict O NH NH F F F N N N H 3 C N IC50 = 18.0 nM 466.47 Cn1c(CNc2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)nnc1-c1ccncc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4751285 OBDepict CH 3 O F N N O N N H IC50 = 18.0 nM 350.35 COc1cc(Cn2cnc3ccc(-c4cn[nH]c4)cc3c2=O)ccc1F Homo sapiens CHEMBL4703614 single protein format
CHEMBL4082805 OBDepict O N H N H N H N N H N N IC50 = 19.0 nM 399.46 O=C(NCc1ccccc1)Nc1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4744858 OBDepict CH 3 O N N O N N H IC50 = 19.0 nM 332.36 COc1cccc(Cn2ncc3ccc(-c4cn[nH]c4)cc3c2=O)c1 Homo sapiens CHEMBL4703614 single protein format
CHEMBL3715563 OBDepict H 2 N O O N CH 3 N N N O NH 2 H IC50 = 20.0 nM 364.37 Cn1cc(-c2cc(C(N)=O)nc3[nH]ncc23)c2cc(OCC(N)=O)ccc21 Homo sapiens CHEMBL3721230 single protein format
CHEMBL4082713 OBDepict O NH N NH N NH O IC50 = 20.0 nM 427.51 O=C(CNc1cccc(C(=O)NCc2ccccc2)c1)N/N=C1CCCc2cnccc21 Homo sapiens CHEMBL4040375 assay format
CHEMBL1738878 OBDepict H 3 C N N N NH N N NH O F F IC50 = 20.0 nM 463.49 CCCn1c(CNc2cccc(C(=O)NCc3c(F)cccc3F)c2)nnc1-c1ccncn1 Homo sapiens CHEMBL3811360 cell-based format
CHEMBL4067877 OBDepict O HN N H N N H N IC50 = 21.0 nM 383.46 O=C(NCc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)c[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4075063 OBDepict O HN N H N N H N N IC50 = 23.0 nM 412.5 O=C(NCCCc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4089087 OBDepict O HN N H N O N IC50 = 24.0 nM 384.44 O=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)on2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4070100 OBDepict H 3 C N N N HN N N H O IC50 = 32.0 nM 426.52 CCCn1c(CNc2cccc(C(=O)NCc3ccccc3)c2)nnc1-c1ccncc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4101739 OBDepict O NH N H N N H N N IC50 = 38.0 nM 398.47 O=C(NCCc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4091573 OBDepict O NH NH N N F F F N H 3 C N IC50 = 39.0 nM 466.47 Cn1c(CNc2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)nnc1-c1ccncc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4062560 OBDepict Cl N H N N H N N IC50 = 41.0 nM 285.74 Clc1ccc(NCc2nc(-c3ccncc3)n[nH]2)cc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL60254 OBDepict OH HN O H N H H O O OH HO O OH O HO IC50 = 42.0 nM 550.52 O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1 Homo sapiens CHEMBL1106956 single protein format
CHEMBL4085247 OBDepict O NH N N H O N IC50 = 42.0 nM 386.45 O=C(CNc1cccc(Oc2ccccc2)c1)N/N=C1CCCc2cnccc21 Homo sapiens CHEMBL4040375 assay format
CHEMBL4062649 OBDepict O N H HN N N H N CH 3 N IC50 = 42.0 nM 398.47 Cc1cnccc1-c1n[nH]c(CNc2cccc(C(=O)NCc3ccccc3)c2)n1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4072686 OBDepict H N N N N H N S O O NH 2 IC50 = 44.0 nM 330.37 NS(=O)(=O)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4075992 OBDepict H 3 C O N H O N H N N N H 3 C N IC50 = 44.0 nM 428.5 COc1ccccc1CNC(=O)c1cccc(NCc2nnc(-c3ccncc3)n2C)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4063774 OBDepict O NH NH N N N H 3 C F F F N IC50 = 45.0 nM 466.47 Cn1c(CNc2cccc(C(=O)NCc3ccc(C(F)(F)F)cc3)c2)nnc1-c1ccncc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4086619 OBDepict O NH NH N N N H 3 C N IC50 = 45.0 nM 398.47 Cn1c(CNc2cccc(C(=O)NCc3ccccc3)c2)nnc1-c1ccncc1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4105466 OBDepict O HN N H O N N IC50 = 46.0 nM 384.44 O=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)no2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3728772 OBDepict CH 3 O HN N H O N N IC50 = 49.0 nM 284.32 COc1cccc(NCC(=O)N/N=C/c2ccncc2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4072224 OBDepict O NH N N H O N IC50 = 53.0 nM 400.48 O=C(CNc1cccc(OCc2ccccc2)c1)N/N=C1CCCc2cnccc21 Homo sapiens CHEMBL4040375 assay format
CHEMBL4076320 OBDepict O NH N H N N H N N IC50 = 54.0 nM 370.42 O=C(Nc1ccccc1)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3809965 OBDepict H 3 C O HN O F HN O N H CH 3 N H O N N H IC50 = 60.0 nM 528.54 COc1ccccc1CNC(=O)c1cc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)ccc1F Homo sapiens CHEMBL3811360 cell-based format
CHEMBL4066027 OBDepict CH 3 N H N N N N H 3 C NH NH O F F IC50 = 62.0 nM 463.49 CNc1cc(-c2nnc(CNc3cccc(C(=O)NCc4c(F)cccc4F)c3)n2C)ccn1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4095595 OBDepict CH 3 N H O N H N N H N N IC50 = 65.0 nM 308.35 CNC(=O)c1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4085317 OBDepict CH 3 N H O N H N N H N N IC50 = 65.0 nM 308.35 CC(=O)Nc1cccc(NCc2nc(-c3ccncc3)n[nH]2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4096791 OBDepict O HN N H N O N N IC50 = 67.0 nM 385.43 O=C(NCc1ccccc1)c1cccc(NCc2nnc(-c3ccncc3)o2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL4095742 OBDepict O HN HN F F N N N CH 3 N N H IC50 = 67.0 nM 539.59 Cn1c(CNc2cccc(C(=O)NCc3c(F)cccc3F)c2)nnc1-c1ccnc(NCc2ccccc2)c1 Homo sapiens CHEMBL4040375 assay format
CHEMBL3809913 OBDepict O N H HN CH 3 N H O F N H O N N H CH 3 CH 3 IC50 = 70.0 nM 526.57 CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(C(=O)NCc3c(C)cccc3C)c2)NC(=O)N1 Homo sapiens CHEMBL3811360 cell-based format
CHEMBL4752236 OBDepict F O N N O N N H IC50 = 78.0 nM 412.42 O=c1c2cc(-c3cn[nH]c3)ccc2ncn1Cc1cccc(Oc2ccc(F)cc2)c1 Homo sapiens CHEMBL4703614 single protein format
CHEMBL4740635 OBDepict H N N N O N IC50 = 95.0 nM 302.34 O=c1c2cc(-c3cn[nH]c3)ccc2ncn1Cc1ccccc1 Homo sapiens CHEMBL4703614 single protein format
CHEMBL3729970 OBDepict CH 3 S HN N H O N Cl Cl N Ki = 100.0 nM 369.28 CSc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 Homo sapiens CHEMBL3734283 single protein format