HOME LIGAND hPROTEOME OTHERS DOCUMENT

Q14164 | IKKE_HUMAN | Inhibitor of nuclear factor kappa-B kinase subunit epsilon (IKBKE)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 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 = -18800.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804392 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -14800.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804392 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -9900.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804392 cell-based format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 0.439 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328452 single protein format
CHEMBL3218297 OBDepict CH 3 S O O HO O N H N H S N OH N IC50 < 1.0 nM 422.49 CS(=O)(=O)O.O=C(NCc1cccc(O)c1)Nc1nc(-c2ccncc2)cs1 Homo sapiens CHEMBL3224484 single protein format
CHEMBL3682430 OBDepict N O N N H O N N H IC50 = 1.0 nM 455.56 N#Cc1cc(-c2ccnc(Nc3cc(C4CCNCC4)ccn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL4537673 OBDepict O N F F F N H 3 C H N N H N N H N N N H 3 C H 3 C IC50 = 2.0 nM 553.59 C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1 Homo sapiens CHEMBL4380519 assay format
CHEMBL3687186 OBDepict N O N N N H O N N N H IC50 = 2.0 nM 473.58 N#Cc1cc(-c2ccnc(Nc3cnn(CCC4CCNCC4)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL4566796 OBDepict H 3 C O N N N N H N H N N CH 3 H N O F F F IC50 = 2.0 nM 554.58 COCc1cc(-c2ccc3nc(Nc4cc([C@@H](C)N5CCN(C(=O)CC(F)(F)F)CC5)ccn4)[nH]c3c2)ncn1 Homo sapiens CHEMBL4380519 assay format
CHEMBL2011940 OBDepict O HN N H Br N N N H H 2 N IC50 = 4.0 nM 443.35 Nc1cccc(-c2nc3c(NCCCNC(=O)C4CCC4)c(Br)cnc3[nH]2)c1 Homo sapiens CHEMBL2013354 single protein format
CHEMBL4454902 OBDepict O N F F F N CH 3 H N N H N N H N N O IC50 = 4.0 nM 580.62 C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(OCC5CC5)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1 Homo sapiens CHEMBL4380519 assay format
CHEMBL4538751 OBDepict O N F F F N CH 3 H N N H N N H N N CH 3 IC50 = 4.0 nM 524.55 Cc1cc(-c2ccc3nc(Nc4cc([C@@H](C)N5CCN(C(=O)CC(F)(F)F)CC5)ccn4)[nH]c3c2)ncn1 Homo sapiens CHEMBL4380519 assay format
CHEMBL4436188 OBDepict O N F F F N H 3 C H N HN N N H N N IC50 = 4.0 nM 566.63 C[C@H](c1ccnc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1 Homo sapiens CHEMBL4380519 assay format
CHEMBL3682431 OBDepict HO N N HN N N O N O IC50 = 4.0 nM 406.45 N#Cc1cc(-c2ccnc(Nc3cnn(CCO)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3682423 OBDepict HO H H N N N H N N O N O IC50 = 4.0 nM 446.51 N#Cc1cc(-c2ccnc(Nc3cnn(C[C@H]4C[C@@H]4CO)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687181 OBDepict N O N N N H O N N HN IC50 = 5.0 nM 431.5 N#Cc1cc(-c2ccnc(Nc3cnn(C4CCNC4)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL2011932 OBDepict NH 2 HN O NH Br N N N H O CH 3 IC50 = 5.0 nM 473.38 COc1ccc(-c2nc3c(NCCCNC(=O)C4(CN)CC4)c(Br)cnc3[nH]2)cc1 Homo sapiens CHEMBL2013354 single protein format
CHEMBL3639859 OBDepict N O N N N H O N N H H HO IC50 = 5.0 nM 460.54 N#Cc1cc(-c2ccnc(Nc3cnn([C@H]4CC[C@H](O)CC4)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL4435393 OBDepict O N F F F N CH 3 H N N H N N H N N IC50 = 6.0 nM 552.61 C[C@H](c1ccnc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1 Homo sapiens CHEMBL4380519 assay format
CHEMBL3682420 OBDepict N O N N N H O N N HN IC50 = 6.0 nM 445.53 N#Cc1cc(-c2ccnc(Nc3cnn(C4CCNCC4)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687175 OBDepict N O N N N H O N N H IC50 = 6.0 nM 362.39 N#Cc1cc(-c2ccnc(Nc3cn[nH]c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3682427 OBDepict N O N N H O N N HN IC50 = 6.0 nM 456.55 N#Cc1cc(-c2ccnc(Nc3ccc(C4CCNCC4)nn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3682434 OBDepict N O N N H O N N H 3 C IC50 = 6.0 nM 469.59 CN1CCC(c2ccnc(Nc3cc(-c4ccc(OC5CCOCC5)c(C#N)c4)ccn3)c2)CC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687159 OBDepict N O N N H O N N HN IC50 = 7.0 nM 444.54 N#Cc1cc(-c2ccnc(Nc3cnn(C4CCNCC4)c3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3682428 OBDepict N O N N H O N N HN IC50 = 7.0 nM 456.55 N#Cc1cc(-c2ccnc(Nc3cnc(C4CCNCC4)cn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL4468020 OBDepict O N F F F N N N H N N H N N IC50 = 7.0 nM 538.58 O=C(CC(F)(F)F)N1CCN(Cc2ccnc(Nc3nc4ccc(-c5cnn(CC6CC6)c5)cc4[nH]3)c2)CC1 Homo sapiens CHEMBL4380519 assay format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 7.1 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479729 assay format
CHEMBL3687125 OBDepict HO H H N N N H N N O N IC50 = 8.0 nM 430.51 N#Cc1cc(-c2ccnc(Nc3cnn(C[C@H]4C[C@@H]4CO)c3)n2)ccc1OCC1CCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687132 OBDepict H 3 C O N N N H N N O N IC50 = 8.0 nM 404.47 COCCn1cc(Nc2nccc(-c3ccc(OCC4CCC4)c(C#N)c3)n2)cn1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687128 OBDepict N O N N H O N N O IC50 = 8.0 nM 457.53 N#Cc1cc(-c2ccnc(Nc3cnc(C4CCOCC4)cn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687121 OBDepict N O N N H O N NH IC50 = 8.0 nM 455.56 N#Cc1cc(-c2ccnc(Nc3cccc(C4CCNCC4)n3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687129 OBDepict N O N N H O N N OH IC50 = 8.0 nM 403.44 N#Cc1cc(-c2ccnc(Nc3cnc(CO)cn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL2011942 OBDepict O NH HN N N O H 2 N N H O N IC50 = 9.0 nM 519.65 NC(=O)c1cnc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2c1NCCCNC(=O)C1CCC1 Homo sapiens CHEMBL2013354 single protein format
CHEMBL3687185 OBDepict N O N N N H O N N F F IC50 = 10.0 nM 426.43 N#Cc1cc(-c2ccnc(Nc3cnn(CC(F)F)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL4453292 OBDepict O N F F F N N N H N N H N N N CH 3 CH 3 IC50 = 10.0 nM 539.57 CN(C)c1cc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)CC(F)(F)F)CC5)ccn4)[nH]c3c2)ncn1 Homo sapiens CHEMBL4380519 assay format
CHEMBL3687111 OBDepict N O N N H O N N CH 3 CH 3 IC50 = 10.0 nM 429.52 CN(C)Cc1ccnc(Nc2cc(-c3ccc(OC4CCOCC4)c(C#N)c3)ccn2)c1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL4569508 OBDepict O N H S F F F N N N O N IC50 < 10.0 nM 529.59 O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 Homo sapiens CHEMBL4479729 assay format
CHEMBL4594167 OBDepict CH 3 N H N N N N H N H N N N O F F F IC50 = 10.0 nM 525.54 CNc1cc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)CC(F)(F)F)CC5)ccn4)[nH]c3c2)ncn1 Homo sapiens CHEMBL4380519 assay format
CHEMBL3682429 OBDepict N O N N N H O N N H H HO IC50 = 10.0 nM 460.54 N#Cc1cc(-c2ccnc(Nc3cnn([C@H]4CC[C@@H](O)CC4)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL4550702 OBDepict CH 3 N N N N N S NH O F F F IC50 < 10.0 nM 406.39 Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479729 assay format
CHEMBL3682433 OBDepict NH 2 N N H N O N O IC50 = 12.0 nM 401.47 N#Cc1cc(-c2ccnc(Nc3cc(CN)ccn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687160 OBDepict OH N N H N O N O IC50 = 13.0 nM 402.45 N#Cc1cc(-c2ccnc(Nc3cc(CO)ccn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3950168 OBDepict H 3 C O N N S N H O NH 2 O N N H 3 C IC50 = 14.0 nM 466.57 COc1cnccc1-c1nc(C(N)=O)c(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)s1 Homo sapiens CHEMBL3887916 single protein format
CHEMBL3919338 OBDepict N N N N H F N N H N N HN IC50 < 15.0 nM 445.51 N#Cc1cc(-c2ccnc(Nc3ccc(N4CCNCC4)nc3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3910276 OBDepict N N N N H F N N H N N O IC50 < 15.0 nM 434.48 N#Cc1cc(-c2ccnc(Nc3cnn(C4CCOCC4)c3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3956235 OBDepict HO N H O N H N N N N N H F IC50 < 15.0 nM 447.47 N#Cc1cc(-c2ccnc(Nc3ccc(C(=O)NCCO)cc3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3687183 OBDepict N O N N HN O O O NH 2 IC50 = 15.0 nM 455.47 N#Cc1cc(-c2ccnc(Nc3ccc4oc(C(N)=O)cc4c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3892171 OBDepict H 3 C O N N H N N N N N H F IC50 < 15.0 nM 459.53 COCCN1Cc2ccc(Nc3nccc(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)cc2C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3904385 OBDepict N N N N H F N NH N N HN O IC50 < 15.0 nM 473.52 N#Cc1cc(-c2ccnc(Nc3ccc(CN4CCNC(=O)C4)nc3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3904190 OBDepict N N N N F H F N N H N O IC50 < 15.0 nM 463.49 N#Cc1nc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)ccc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3975272 OBDepict N N N N H F N HN N HN O N O IC50 < 15.0 nM 503.54 N#Cc1nc(-c2ccnc(Nc3ccc(NC(=O)CN4CCOCC4)nc3)n2)ccc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3941194 OBDepict N N N N H F N N H N N H F IC50 < 15.0 nM 462.51 N#Cc1nc(-c2ccnc(Nc3ccc(CN4CC[C@H](F)C4)nc3)n2)ccc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3889803 OBDepict N N N N N H F N N H N N H H 3 C O IC50 < 15.0 nM 499.55 C[C@H]1COCCN1Cc1ccc(Nc2nccc(-c3cc(C#N)c(N4CC[C@H](F)C4)c(C#N)n3)n2)cn1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL4515413 OBDepict O N F F F N N N H N N H N H 3 C IC50 = 15.0 nM 509.54 Cc1cc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)CC(F)(F)F)CC5)ccn4)[nH]c3c2)ccn1 Homo sapiens CHEMBL4380519 assay format
CHEMBL3687151 OBDepict N O N N H O N N O IC50 = 15.0 nM 457.53 N#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3915872 OBDepict N N N N H F N HN N O IC50 < 15.0 nM 459.53 N#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)cc3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3909307 OBDepict N N N N F H F N N H HN O N CH 3 IC50 < 15.0 nM 518.57 CN1CCC(NC(=O)c2ccc(Nc3ncc(F)c(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)cc2)CC1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3904420 OBDepict N N N N H F N HN N N O IC50 < 15.0 nM 460.52 N#Cc1nc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)ccc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3898354 OBDepict N N N N H F N N H N N H F IC50 < 15.0 nM 462.51 N#Cc1cc(-c2ccnc(Nc3ccc(CN4CC[C@H](F)C4)nc3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3971959 OBDepict N N N N N N H O NH 2 IC50 < 15.0 nM 385.43 N#Cc1cc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)cnc1N1CCCC1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3985538 OBDepict N N N N H F N N H N N N CH 3 IC50 < 15.0 nM 459.53 CN1CCN(c2ccc(Nc3nccc(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)cn2)CC1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3980518 OBDepict N N N N H F N N H N N H OH CH 3 CH 3 IC50 < 15.0 nM 448.51 CC(C)(O)CNc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL4109686 OBDepict N N N N H F N HN N HN O N O IC50 < 15.0 nM 503.54 N#Cc1cc(-c2ccnc(Nc3ccc(NC(=O)CN4CCOCC4)nc3)n2)cnc1N1CC[C@@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3979910 OBDepict N N N N H OH N N H N O IC50 < 15.0 nM 443.51 N#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cnc1N1CC[C@H](O)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3890843 OBDepict N N N N N HN N O IC50 < 15.0 nM 427.51 N#Cc1nc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1N1CCCC1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3984327 OBDepict N N N N H F N HN N H IC50 < 15.0 nM 401.45 N#Cc1cc(-c2ccnc(Nc3ccc4c(c3)CNC4)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3923747 OBDepict N N N N H F N N H N N O IC50 < 15.0 nM 446.49 N#Cc1cc(-c2ccnc(Nc3ccnc(N4CCOCC4)c3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3947772 OBDepict N N N N H F N NH N N HN O IC50 < 15.0 nM 473.52 N#Cc1nc(-c2ccnc(Nc3ccc(CN4CCNC(=O)C4)nc3)n2)ccc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3943587 OBDepict N N N N H F N HN N N O IC50 < 15.0 nM 460.52 N#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3930440 OBDepict N N N N N N H N N N CH 3 IC50 < 15.0 nM 441.54 CN1CCN(c2ccc(Nc3nccc(-c4cnc(N5CCCC5)c(C#N)c4)n3)cn2)CC1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3916897 OBDepict N N N H N O NH 2 CH 3 CH 3 N N H N N O IC50 < 15.0 nM 487.57 CC(C)C(Nc1ncc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cc1C#N)C(N)=O Homo sapiens CHEMBL3889016 single protein format
CHEMBL3980158 OBDepict N N N N H F N NH N CH 3 IC50 < 15.0 nM 415.48 CN1Cc2ccc(Nc3nccc(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)cc2C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3935860 OBDepict N N N N H F N NH N HN N CH 3 IC50 < 15.0 nM 473.56 CN1CCC(Nc2ccc(Nc3nccc(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)cn2)CC1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3932700 OBDepict N N N N H F N N H N N H IC50 < 15.0 nM 350.36 N#Cc1cc(-c2ccnc(Nc3cn[nH]c3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3919184 OBDepict N N N N H F N NH N N H N O IC50 < 15.0 nM 489.56 N#Cc1cc(-c2ccnc(Nc3ccc(NCCN4CCOCC4)nc3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3985241 OBDepict N N N N N N H O N N O IC50 < 15.0 nM 484.56 N#Cc1nc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)ccc1N1CCC2(COC2)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL4552254 OBDepict O N F F F N N N H N N H N N H 3 C IC50 = 16.0 nM 510.52 Cc1cc(-c2ccc3nc(Nc4cc(CN5CCN(C(=O)CC(F)(F)F)CC5)ccn4)[nH]c3c2)ncn1 Homo sapiens CHEMBL4380519 assay format
CHEMBL4459120 OBDepict N N N H N H N N N O F F F IC50 = 17.0 nM 443.43 N#Cc1ccc2nc(Nc3cc(CN4CCN(C(=O)CC(F)(F)F)CC4)ccn3)[nH]c2c1 Homo sapiens CHEMBL4380519 assay format
CHEMBL2011941 OBDepict O N H HN Br N N N H O N IC50 = 17.0 nM 555.52 O=C(NCCCNc1c(Br)cnc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc12)C1CCC1 Homo sapiens CHEMBL2013354 single protein format
CHEMBL577784 OBDepict O N N H NH N N NH I N H O S IC50 = 18.0 nM 591.48 O=C(NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I)c1cccs1 Homo sapiens CHEMBL4380519 assay format
CHEMBL3687176 OBDepict CH 3 O N N NH N N O N O IC50 = 18.0 nM 420.47 COCCn1cc(Nc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)n2)cn1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687124 OBDepict OH N N N H N N O N IC50 = 18.0 nM 390.45 N#Cc1cc(-c2ccnc(Nc3cnn(CCO)c3)n2)ccc1OCC1CCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL2011934 OBDepict H 3 C O N N H N N H Br N CH 3 O IC50 = 20.0 nM 472.39 COc1ccc(-c2nc3c(NCCCN(C)C(=O)C4CCC4)c(Br)cnc3[nH]2)cc1 Homo sapiens CHEMBL2013354 single protein format
CHEMBL3687148 OBDepict N O N N H O N N N CH 3 IC50 = 20.0 nM 458.57 CN1CCC(n2cc(Nc3cc(-c4ccc(OC5CCOCC5)c(C#N)c4)ccn3)cn2)CC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL2011933 OBDepict H 3 C O N N H N N H Br NH O IC50 = 21.0 nM 458.36 COc1ccc(-c2nc3c(NCCCNC(=O)C4CCC4)c(Br)cnc3[nH]2)cc1 Homo sapiens CHEMBL2013354 single protein format
CHEMBL3682432 OBDepict N O N N N H O N O H 3 C NH IC50 = 21.0 nM 484.56 COc1nc(Nc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)n2)ccc1C1=CCNCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687158 OBDepict N O N N H O N OH IC50 = 21.0 nM 402.45 N#Cc1cc(-c2ccnc(Nc3ccc(CO)cn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687178 OBDepict N O N N H O N O NH 2 IC50 = 21.0 nM 415.45 N#Cc1cc(-c2ccnc(Nc3ccc(C(N)=O)cn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687182 OBDepict N O N N N H O N N O IC50 = 25.0 nM 446.51 N#Cc1cc(-c2ccnc(Nc3cnn(CC4CCOC4)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687133 OBDepict N O N N H O N N O IC50 = 25.0 nM 471.56 N#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)cn3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687180 OBDepict N O N N N H O N N N O IC50 = 25.0 nM 475.55 N#Cc1cc(-c2ccnc(Nc3cnn(CCN4CCOCC4)c3)n2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687155 OBDepict N O N N H O N H N IC50 = 25.0 nM 401.47 N#Cc1cc(-c2ccnc(Nc3cc(C4CC4)n[nH]3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL3687168 OBDepict HO H H N N N H N O N O IC50 = 27.0 nM 445.52 N#Cc1cc(-c2ccnc(Nc3cnn(C[C@H]4C[C@@H]4CO)c3)c2)ccc1OC1CCOCC1 Homo sapiens CHEMBL3707546 single protein format
CHEMBL4106630 OBDepict N N N N N N H N N OH H HO IC50 < 30.0 nM 406.45 N#Cc1cc(-c2ccnc(Nc3cnn(C[C@@H](O)CO)c3)n2)cnc1N1CCCC1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3650706 OBDepict N N N N N H N O CH 3 IC50 < 30.0 nM 372.43 COc1ccc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)cn1 Homo sapiens CHEMBL3706330 single protein format
CHEMBL3650691 OBDepict N N N N N H O NH 2 IC50 < 30.0 nM 384.44 N#Cc1cc(-c2ccnc(Nc3ccc(C(N)=O)cc3)n2)ccc1N1CCCC1 Homo sapiens CHEMBL3706330 single protein format
CHEMBL3902062 OBDepict N N N N N HN O NH 2 N N O IC50 < 30.0 nM 499.58 N#Cc1cc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)cnc1N1CCCC1CC(N)=O Homo sapiens CHEMBL3889016 single protein format
CHEMBL3982149 OBDepict N N N N H F N N H N H 2 N IC50 < 30.0 nM 376.4 N#Cc1cc(-c2ccnc(Nc3ccc(N)nc3)n2)cnc1N1CC[C@H](F)C1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3962112 OBDepict N N N N H F N HN N NH O N CH 3 N IC50 < 30.0 nM 498.53 Cc1nccn1CC(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1 Homo sapiens CHEMBL3889016 single protein format
CHEMBL3985372 OBDepict N N N N H F N N H N N H O NH 2 H 3 C IC50 < 30.0 nM 447.48 CC(N)C(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1 Homo sapiens CHEMBL3889016 single protein format