HOME LIGAND hPROTEOME OTHERS DOCUMENT

P28482 | MK01_HUMAN | Mitogen-activated protein kinase 1 (MAPK1)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -29600.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804378 cell-based format
CHEMBL3980387 OBDepict NH 2 N H H O F I F N NH 2 N O IC50 = 0.00612 nM 579.39 NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(I)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3895057 OBDepict NH 2 N H H O F Br F N NH 2 N O IC50 = 0.00671 nM 532.39 NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4114093 OBDepict H 3 C S F N H H OH O F N NH 2 N O IC50 = 0.00827 nM 500.57 CSc1cc(F)cc([C@@H](CO)NC(=O)c2ccc(-c3nc(C4CCOCC4)cnc3N)cc2F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4108056 OBDepict H 2 N NH H O F I F N NH 2 N H H HO IC50 = 0.00837 nM 593.42 NC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)CC3)cnc2N)cc1F)c1cc(F)cc(I)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4110872 OBDepict F F N H H OH O F NH 2 N N CH 3 N H 3 C IC50 = 0.00875 nM 495.51 Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cc(F)cc(CF)c4)c(F)c3)c2)cnn1C Homo sapiens CHEMBL3887900 single protein format
CHEMBL4115419 OBDepict HO N H H O F I F N NH 2 N H HN O IC50 = 0.009 nM 593.37 Nc1ncc([C@@H]2CCC(=O)NC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4111422 OBDepict H 3 C N H NH H O Br F N NH 2 N O IC50 = 0.0097 nM 528.43 CNC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4111944 OBDepict HO N H H O F I F N NH 2 N H H HO IC50 = 0.00977 nM 594.4 Nc1ncc([C@H]2CC[C@H](O)CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3608588 OBDepict OH N H O N Cl N N N H O IC50 = 0.01 nM 481.98 O=C1c2cc(-c3ccnc(NC4CCOCC4)n3)cn2CCCN1[C@H](CO)c1cccc(Cl)c1 Homo sapiens CHEMBL3611591 single protein format
CHEMBL4114147 OBDepict F F N H H HO O F N NH 2 N O IC50 = 0.01 nM 486.49 Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4108345 OBDepict OH N H H O S CH 3 F N NH 2 N O IC50 = 0.01 nM 482.58 CSc1cccc([C@@H](CO)NC(=O)c2ccc(-c3nc(C4CCOCC4)cnc3N)cc2F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4109252 OBDepict H 2 N NH H O F Br F N NH 2 N H H F H HO IC50 = 0.0103 nM 564.41 NC[C@@H](NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](O)[C@@H](F)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3957670 OBDepict F F N H H HO O F H 2 N N N H 3 C N F F IC50 = 0.0104 nM 531.49 Cc1nn(C(F)F)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cc(F)cc(CF)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4109456 OBDepict H 2 N NH H O I F N NH 2 N H H HO IC50 = 0.011 nM 575.43 NC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)CC3)cnc2N)cc1F)c1cccc(I)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3923033 OBDepict NH 2 N H H O F Cl F N NH 2 N O IC50 = 0.0119 nM 487.94 NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(Cl)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4110508 OBDepict F F N H H HO O F H 2 N N N H 3 C N CH 3 IC50 = 0.0121 nM 495.51 Cc1nn(C)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cc(F)cc(CF)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4108076 OBDepict HO N H H O F Br F N NH 2 N O IC50 = 0.0127 nM 533.37 Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4107980 OBDepict H 2 N NH H O F Br F N NH 2 N H H F H HO IC50 = 0.0139 nM 564.41 NC[C@@H](NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](O)[C@H](F)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4109206 OBDepict F F N H H HO O F H 2 N N N H 3 C N F F IC50 = 0.014 nM 531.49 Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cc(F)cc(CF)c4)c(F)c3)c2)cnn1C(F)F Homo sapiens CHEMBL3887900 single protein format
CHEMBL4115307 OBDepict CH 3 NH NH H O F Cl F N NH 2 N O IC50 = 0.0143 nM 501.97 CNC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(Cl)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4109955 OBDepict CH 3 S F NH H HO O F N NH 2 N N H 3 C N CH 3 IC50 = 0.0153 nM 510.57 CSc1cc(F)cc([C@@H](CO)NC(=O)c2ccc(-c3nc(-c4cn(C)nc4C)cnc3N)cc2F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4106909 OBDepict OH N H H O F I F NH 2 N N N CH 3 N IC50 = 0.0158 nM 576.35 Cn1nncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cc(F)cc(I)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113157 OBDepict F N H H HO O F H 2 N N N H 3 C N F F IC50 = 0.0168 nM 513.5 Cc1nn(C(F)F)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(CF)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4107833 OBDepict HO N H H O F Br F N NH 2 N H H HO IC50 = 0.0173 nM 547.4 Nc1ncc([C@H]2CC[C@H](O)CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4114947 OBDepict HO N H H O I F N NH 2 N H H HO IC50 = 0.0175 nM 576.41 Nc1ncc([C@H]2CC[C@H](O)CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(I)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4108962 OBDepict CH 3 NH NH H O F Br F N NH 2 N H H HO IC50 = 0.0183 nM 560.44 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)CC3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4114300 OBDepict HO N H H O F Br F N NH 2 N H H HO H HO IC50 = 0.0187 nM 563.4 Nc1ncc([C@@H]2CC[C@@H](O)[C@H](O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3608589 OBDepict OH N H O N F Cl N N N H O IC50 = 0.019 nM 499.97 O=C1c2cc(-c3ccnc(NC4CCOCC4)n3)cn2CCCN1[C@H](CO)c1cc(F)cc(Cl)c1 Homo sapiens CHEMBL3611591 single protein format
CHEMBL3930522 OBDepict H 2 N NH H O F Br F N NH 2 N H H F H HO IC50 = 0.0194 nM 564.41 NC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)[C@H](F)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4106814 OBDepict HO N H H O F F N NH 2 N O IC50 = 0.0197 nM 468.5 Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(CF)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4114593 OBDepict H 3 C S F N H H OH O F N NH 2 N H H HO IC50 = 0.0198 nM 514.6 CSc1cc(F)cc([C@@H](CO)NC(=O)c2ccc(-c3nc([C@H]4CC[C@H](O)CC4)cnc3N)cc2F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113452 OBDepict F F N H H HO O F H 2 N N N N CH 3 IC50 = 0.0199 nM 481.48 Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cc(F)cc(CF)c4)c(F)c3)c2)cn1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4108313 OBDepict NH 2 N H H O Br F N NH 2 N O IC50 = 0.02 nM 514.4 NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4108926 OBDepict CH 3 NH O N H H O F Br F N NH 2 N O IC50 = 0.0201 nM 574.43 CC(=O)NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4108747 OBDepict CH 3 HN HN H O F Br F N H 2 N N H H O CH 3 IC50 = 0.0205 nM 574.47 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](OC)CC3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113751 OBDepict F N H H HO O F H 2 N N N H 3 C N F F IC50 = 0.0208 nM 513.5 Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(CF)c4)c(F)c3)c2)cnn1C(F)F Homo sapiens CHEMBL3887900 single protein format
CHEMBL4110468 OBDepict CH 3 NH NH H O F Br F N NH 2 N O IC50 = 0.0208 nM 546.42 CNC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113025 OBDepict HO N H H O F F F F N NH 2 N O IC50 = 0.0208 nM 504.48 Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(C(F)F)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4112962 OBDepict CH 3 N H HN H O Br F N H 2 N N H H OH IC50 = 0.0209 nM 542.45 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)CC3)cnc2N)cc1F)c1cccc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4107676 OBDepict NH 2 N H H O Cl F H 2 N N N H 3 C N IC50 = 0.0209 nM 464.93 Cn1nccc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CN)c3cccc(Cl)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3928081 OBDepict NH 2 N H H O Cl F N NH 2 N O IC50 = 0.021 nM 469.95 NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(Cl)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4112079 OBDepict HO N H H O F Cl F N NH 2 N O IC50 = 0.0222 nM 488.92 Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Cl)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3891114 OBDepict F F N H H HO O F N NH 2 N OH IC50 = 0.0229 nM 500.52 Nc1ncc(C2CCC(O)CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CF)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4108968 OBDepict CH 3 HN HN H O F Br F N H 2 N N H H F H OH IC50 = 0.023 nM 578.43 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@@H]3CC[C@@H](O)[C@@H](F)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3924033 OBDepict HO N H H O F Br F N NH 2 N OH IC50 = 0.0234 nM 547.4 Nc1ncc(C2CCC(O)CC2)nc1-c1ccc(C(=O)N[C@@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4108246 OBDepict Cl F N H H HO O F N NH 2 N O IC50 = 0.0242 nM 502.95 Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(CCl)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4106578 OBDepict OH N H H O Cl F NH 2 N N CH 3 N F F IC50 = 0.0245 nM 515.92 Cc1nn(C(F)F)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(Cl)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113613 OBDepict CH 3 N H N H H O Br F N NH 2 N O IC50 = 0.0248 nM 542.45 CCNC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4114268 OBDepict OH N H H O F F H 2 N N N H 3 C N CH 3 IC50 = 0.0258 nM 477.52 Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(CF)c4)c(F)c3)c2)cnn1C Homo sapiens CHEMBL3887900 single protein format
CHEMBL3608586 OBDepict OH N H O N Cl N N HN H H H O IC50 = 0.026 nM 479.97 O=C1c2cc(-c3ccnc(N[C@@H]4[C@H]5COC[C@H]54)n3)cn2CCCN1[C@H](CO)c1cccc(Cl)c1 Homo sapiens CHEMBL3611591 single protein format
CHEMBL4110204 OBDepict HO N H H O F Br F N NH 2 N H F F H HO IC50 = 0.0261 nM 583.38 Nc1ncc([C@@H]2CC[C@@H](O)C(F)(F)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3909517 OBDepict CH 3 HN HN H O F Br F N H 2 N N H H F H OH IC50 = 0.0261 nM 578.43 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)[C@@H](F)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4106863 OBDepict CH 3 S N H H HO O F N H 2 N N H H OH IC50 = 0.0269 nM 496.61 CSc1cccc([C@@H](CO)NC(=O)c2ccc(-c3nc([C@H]4CC[C@H](O)CC4)cnc3N)cc2F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3919189 OBDepict H 3 C N H NH H O Cl F N NH 2 N O IC50 = 0.0282 nM 483.98 CNC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cccc(Cl)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3932226 OBDepict HO N H H O F Br F N NH 2 N OH IC50 = 0.0285 nM 547.4 Nc1ncc(C2CCC(O)CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4107705 OBDepict OH N H H O F F NH 2 N N CH 3 N H 3 C IC50 = 0.0287 nM 477.52 Cc1nn(C)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(CF)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3901227 OBDepict CH 3 NH NH H O F Br F N NH 2 N H H HO IC50 = 0.0291 nM 560.44 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CCC[C@@H](O)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3590106 OBDepict OH N H H O Cl N H Cl N NH H 3 C CH 3 IC50 = 0.03 nM 433.34 CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1 Homo sapiens CHEMBL3611591 single protein format
CHEMBL4114349 OBDepict CH 3 N H N H H O F Br F N NH 2 N O IC50 = 0.03 nM 560.44 CCNC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3923999 OBDepict OH N H H O F I F N NH 2 N H H HO IC50 = 0.03 nM 580.37 Nc1ncc([C@H]2CC[C@H](O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4114641 OBDepict OH N H H O F F F F H 2 N N N H 3 C N CH 3 IC50 = 0.0308 nM 513.5 Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cc(F)cc(C(F)F)c4)c(F)c3)c2)cnn1C Homo sapiens CHEMBL3887900 single protein format
CHEMBL4107068 OBDepict OH N H H O F Br F NH 2 N N N CH 3 N IC50 = 0.031 nM 529.35 Cn1nncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cc(F)cc(Br)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4109712 OBDepict HO N H H O F F F F H 2 N N N H 3 C N F F IC50 = 0.0312 nM 549.48 Cc1nn(C(F)F)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cc(F)cc(C(F)F)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3970217 OBDepict CH 3 HN HN H O F Br F N H 2 N N H H F H OH IC50 = 0.0317 nM 578.43 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)[C@H](F)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3608462 OBDepict OH N H O N N N N H O IC50 = 0.033 nM 447.54 O=C1c2cc(-c3ccnc(NC4CCOCC4)n3)cn2CCCN1[C@H](CO)c1ccccc1 Homo sapiens CHEMBL3611591 single protein format
CHEMBL4109708 OBDepict HO N H H O Br F N NH 2 N O IC50 = 0.0343 nM 515.38 Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3608464 OBDepict OH N H O N Cl N N N H F O IC50 = 0.035 nM 499.97 O=C1c2cc(-c3ccnc(NC4CCOCC4F)n3)cn2CCCN1[C@H](CO)c1cccc(Cl)c1 Homo sapiens CHEMBL3611591 single protein format
CHEMBL4108238 OBDepict HO N H H O F Br F N NH 2 N O IC50 = 0.036 nM 545.38 Nc1ncc(C2CCC(=O)CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3946329 OBDepict HO N H H O F Br F N NH 2 N H H F H HO IC50 = 0.0363 nM 565.39 Nc1ncc([C@@H]2CC[C@@H](O)[C@@H](F)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113846 OBDepict NH 2 N H H O Cl F NH 2 N N CH 3 N H 3 C IC50 = 0.0364 nM 478.96 Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CN)c4cccc(Cl)c4)c(F)c3)c2)cnn1C Homo sapiens CHEMBL3887900 single protein format
CHEMBL4111641 OBDepict NH 2 N H H O Cl F NH 2 N CH 3 N H 3 C N H 3 C IC50 = 0.0364 nM 492.99 Cc1nn(C)c(C)c1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CN)c3cccc(Cl)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4115643 OBDepict HO N H H O F F F NH 2 N N H 3 C N H 3 C IC50 = 0.0371 nM 495.51 Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(C(F)F)c4)c(F)c3)c2)cnn1C Homo sapiens CHEMBL3887900 single protein format
CHEMBL3967502 OBDepict HO N H H O F I F N NH 2 N H HN O IC50 = 0.039 nM 593.37 Nc1ncc([C@H]2CCC(=O)NC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3948885 OBDepict NH 2 N H H O Cl F N H 2 N N O CH 3 IC50 = 0.0396 nM 498.0 COC1CCC(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CN)c4cccc(Cl)c4)c(F)c3)n2)CC1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3971970 OBDepict HO N H H O F Br F N NH 2 N H F F H HO IC50 = 0.0397 nM 583.38 Nc1ncc([C@H]2CC[C@H](O)C(F)(F)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3608463 OBDepict OH N H O N N N N H O IC50 = 0.04 nM 459.55 O=C1c2cc(-c3ccnc(NC4CC5(COC5)C4)n3)cn2CCCN1[C@H](CO)c1ccccc1 Homo sapiens CHEMBL3611591 single protein format
CHEMBL4112935 OBDepict CH 3 N H HN H O Br F N H 2 N N H H O CH 3 IC50 = 0.0401 nM 556.48 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](OC)CC3)cnc2N)cc1F)c1cccc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113389 OBDepict OH N H H O F I F N NH 2 N H H HO IC50 = 0.0403 nM 580.37 Nc1ncc([C@@H]2CC[C@H](O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4110779 OBDepict OH N H H O Cl F H 2 N N N H 3 C N F F IC50 = 0.0431 nM 515.92 Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cccc(Cl)c4)c(F)c3)c2)cnn1C(F)F Homo sapiens CHEMBL3887900 single protein format
CHEMBL4112519 OBDepict HO N H H O F F F F N NH 2 N H H HO IC50 = 0.0435 nM 518.51 Nc1ncc([C@H]2CC[C@H](O)CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(C(F)F)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3910107 OBDepict HO N H H O F Br F N NH 2 N H H HO H HO IC50 = 0.0446 nM 563.4 Nc1ncc([C@H]2CC[C@H](O)[C@@H](O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4107391 OBDepict H 2 N NH H O Cl F N NH 2 N H H HO IC50 = 0.0452 nM 483.98 NC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)CC3)cnc2N)cc1F)c1cccc(Cl)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4112340 OBDepict CH 3 N H HN H O Cl F N H 2 N N H H OH IC50 = 0.0463 nM 498.0 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)CC3)cnc2N)cc1F)c1cccc(Cl)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113430 OBDepict OH N N NH 2 F N H O H OH F Br IC50 = 0.0464 nM 561.43 Nc1ncc(C2CCC(CO)CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4112506 OBDepict HO N H H O F F F F H 2 N N N H 3 C N CH 3 IC50 = 0.0467 nM 513.5 Cc1nn(C)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cc(F)cc(C(F)F)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3928896 OBDepict HO N H H O F Br F N NH 2 N F OH IC50 = 0.0469 nM 565.39 Nc1ncc(C2CCC(O)C(F)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113849 OBDepict OH N H H O F F F F H 2 N N N H 3 C N F F IC50 = 0.0482 nM 549.48 Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cc(F)cc(C(F)F)c4)c(F)c3)c2)cnn1C(F)F Homo sapiens CHEMBL3887900 single protein format
CHEMBL4112430 OBDepict HO N H H O Br F N NH 2 N H H HO IC50 = 0.0485 nM 529.41 Nc1ncc([C@H]2CC[C@H](O)CC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cccc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4113172 OBDepict OH N H H O Br F H 2 N N N N H 3 C N IC50 = 0.0487 nM 511.36 Cn1nncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(Br)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4111410 OBDepict NH 2 N H H O Cl F H 2 N N N H 3 C N CH 3 IC50 = 0.0497 nM 478.96 Cc1nn(C)cc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CN)c3cccc(Cl)c3)c(F)c2)c1 Homo sapiens CHEMBL3887899 single protein format
CHEMBL3608587 OBDepict OH N H O H F N Cl N N N H O IC50 = 0.05 nM 499.97 O=C1c2cc(-c3ccnc(NC4CCOCC4)n3)cn2C[C@@H](F)CN1[C@H](CO)c1cccc(Cl)c1 Homo sapiens CHEMBL3611591 single protein format
CHEMBL4115289 OBDepict NH 2 N H H O Cl F N NH 2 N IC50 = 0.0505 nM 467.98 NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCCCC3)cnc2N)cc1F)c1cccc(Cl)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3900490 OBDepict HO N H H O F Br F N NH 2 N H H F H HO IC50 = 0.051 nM 565.39 Nc1ncc([C@H]2CC[C@H](O)[C@@H](F)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4111913 OBDepict CH 3 NH NH H O F Br F N NH 2 N H H HO IC50 = 0.0557 nM 560.44 CNC[C@@H](NC(=O)c1ccc(-c2nc([C@@H]3CCC[C@H](O)C3)cnc2N)cc1F)c1cc(F)cc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL3931978 OBDepict HO N H H O F Br F N NH 2 N H H F H HO IC50 = 0.0571 nM 565.39 Nc1ncc([C@@H]2CC[C@@H](O)[C@H](F)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4109328 OBDepict OH N H H O F F H 2 N N N H 3 C N IC50 = 0.0599 nM 463.49 Cn1nccc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(CF)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4111888 OBDepict HO N H H O F Br F N NH 2 N HO IC50 = 0.0614 nM 547.4 Nc1ncc(C2CCCC(O)C2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(Br)c2)c(F)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4110654 OBDepict CH 3 N H N H H O Br F N H 2 N N H H OH IC50 = 0.0617 nM 556.48 CCNC[C@@H](NC(=O)c1ccc(-c2nc([C@H]3CC[C@H](O)CC3)cnc2N)cc1F)c1cccc(Br)c1 Homo sapiens CHEMBL3887900 single protein format
CHEMBL4115387 OBDepict OH N H H O F F F F H 2 N N N N H 3 C N IC50 = 0.0619 nM 500.46 Cn1nncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cc(F)cc(C(F)F)c3)c(F)c2)c1 Homo sapiens CHEMBL3887900 single protein format