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Q02750 | MP2K1_HUMAN | Dual specificity mitogen-activated protein kinase kinase 1 (MAP2K1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ 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
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -79800.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804411 cell-based format
CHEMBL4859660 OBDepict NH 2 N F + N O NH O _ O IC50 = -55800.0 nM 378.36 Nc1ncc(-c2cccc([N+](=O)[O-])c2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804411 cell-based format
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -42200.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804411 cell-based format
CHEMBL4855542 OBDepict NH 2 N S N O NH IC50 = -36700.0 nM 372.45 Nc1ncc(-c2cccc3ncsc23)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804411 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -5500.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804411 cell-based format
CHEMBL3818606 OBDepict H 2 N O NH O N H F F F I IC50 = 0.00715 nM 451.19 NCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL3820565 single protein format
CHEMBL450775 OBDepict OH HO O HN O N H F F F I IC50 = 0.6 nM 482.2 O=C(NOCC(O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL2149502 single protein format
CHEMBL2146883 OBDepict I F HN F N O F HO H NH IC50 = 0.9 nM 531.32 O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1 Homo sapiens CHEMBL2149502 single protein format
CHEMBL106489 OBDepict CH 3 O O N HN N N Cl S O N N H 3 C CH 3 IC50 = 1.0 nM 579.13 COc1cc2c(Nc3ccc(Sc4ncc(C)n4C)c(Cl)c3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL734032 single protein format
CHEMBL435734 OBDepict H 3 C O O CH 3 H O H O O OH CH 3 IC50 = 1.0 nM 372.42 COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O Homo sapiens CHEMBL921092 single protein format
CHEMBL288441 OBDepict CH 3 O O N N H N N Cl O H 3 C Cl N CH 3 IC50 = 1.0 nM 530.46 COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl Homo sapiens CHEMBL3813585 single protein format
CHEMBL29714 OBDepict CH 3 O O N N H N N S O IC50 = 1.1 nM 526.66 COc1cc2c(Nc3ccc(Sc4ccccc4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL672143 single protein format
CHEMBL3261161 OBDepict OH OH H N N O N H N F I IC50 = 1.63 nM 456.21 O=c1c2c(Nc3ccc(I)cc3F)cncc2cnn1C[C@H](O)CO Homo sapiens CHEMBL3266112 single protein format
CHEMBL2146893 OBDepict H 3 C N H CH 3 HO N O HN F F F I IC50 = 1.8 nM 519.31 CC(C)NCC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 Homo sapiens CHEMBL2149502 single protein format
CHEMBL102374 OBDepict N N N H O O Cl H 3 C S N N N H 3 C CH 3 H 3 C O IC50 = 2.0 nM 593.15 COc1cc2c(Nc3ccc(Sc4nc(C)c(C)n4C)c(Cl)c3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL734032 single protein format
CHEMBL4588064 OBDepict OH O N H O N H F F F I IC50 = 2.0 nM 466.2 O=C(NOCCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL4320879 single protein format
CHEMBL1668411 OBDepict CH 3 O OH O O H HO H CH 3 H HO O IC50 = 2.0 nM 362.38 COc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O Homo sapiens CHEMBL1670834 cell-based format
CHEMBL244488 OBDepict HO O NH O N H F F F I IC50 = 2.0 nM 452.17 O=C(NOCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL2341896 single protein format
CHEMBL105442 OBDepict I Cl N H F N H O F O IC50 = 2.0 nM 478.66 O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl Homo sapiens CHEMBL734032 single protein format
CHEMBL105642 OBDepict CH 3 O O N HN N N Cl S + S _ O N N H 3 C IC50 = 2.0 nM 597.17 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1OCCCN1CC[S+]([O-])CC1 Homo sapiens CHEMBL734032 single protein format
CHEMBL318804 OBDepict CH 3 O O N HN N N Cl S O N N H 3 C IC50 = 2.0 nM 565.1 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL734032 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 2.5 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL731425 single protein format
CHEMBL30728 OBDepict CH 3 O O N N H N N O IC50 = 2.7 nM 508.62 COc1cc2c(Nc3ccc(Cc4ccccc4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL672143 single protein format
CHEMBL1097700 OBDepict CH 3 N H OH O O H HO H CH 3 H HO H CH 3 O IC50 = 2.8 nM 375.42 CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=C[C@@H](C)[C@H](C)OC2=O Homo sapiens CHEMBL3880853 single protein format
CHEMBL103045 OBDepict CH 3 N N O O N CH 3 N H N Cl S N N H 3 C IC50 = 3.0 nM 592.17 CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1 Homo sapiens CHEMBL734032 single protein format
CHEMBL3699139 OBDepict F F N H O NH O N H N IC50 = 3.0 nM 526.59 O=C(C#Cc1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(CN2CCCC2)cc1)c1ccccc1)NCC(F)F Homo sapiens CHEMBL3707981 assay format
CHEMBL485615 OBDepict CH 3 N CH 3 O N H 3 C HN N Cl S N N CH 3 IC50 = 3.0 nM 547.13 CCN(CC)CC/C=C/c1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OC Homo sapiens CHEMBL995059 single protein format
CHEMBL1684075 OBDepict HO HO H O N N O N N H CH 3 F O F I IC50 = 3.1 nM 520.23 Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(OC[C@H](O)CO)cnc21 Homo sapiens CHEMBL1686836 single protein format
CHEMBL1684070 OBDepict HO HO H N N O N N H CH 3 F O F I IC50 = 3.2 nM 504.23 Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@H](O)CO)cnc21 Homo sapiens CHEMBL1686836 single protein format
CHEMBL1615025 OBDepict HO HO H N N O N N H CH 3 F O F I IC50 = 3.2 nM 504.23 Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21 Homo sapiens CHEMBL1686836 single protein format
CHEMBL1684074 OBDepict OH N HO N O N N H CH 3 F O F I IC50 = 3.3 nM 504.23 Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C(CO)CO)cnc21 Homo sapiens CHEMBL1686836 single protein format
CHEMBL2107832 OBDepict OH OH H HN O N H N F I IC50 = 3.39 nM 431.21 O=C(NC[C@H](O)CO)c1ccncc1Nc1ccc(I)cc1F Homo sapiens CHEMBL3266112 single protein format
CHEMBL4229260 OBDepict OH O N H O N H F O F I IC50 = 3.4 nM 474.2 O=C(NOCCO)c1cc2ccoc2c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL4220448 single protein format
CHEMBL31806 OBDepict N N HN O O CH 3 H 3 C IC50 = 3.6 nM 395.46 COc1cc2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC Homo sapiens CHEMBL672143 single protein format
CHEMBL1684067 OBDepict HO HO H N N O N N H CH 3 H 3 C O F I IC50 = 3.8 nM 500.27 Cc1c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc2n(C)c1=O Homo sapiens CHEMBL1686836 single protein format
CHEMBL4228425 OBDepict HO HO H O N H O N H F O F I IC50 = 3.9 nM 504.23 O=C(NOC[C@H](O)CO)c1cc2ccoc2c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL4220448 single protein format
CHEMBL524111 OBDepict CH 3 O N HN N N Cl S N CH 3 N N H 3 C IC50 = 4.0 nM 574.15 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1/C=C/CCN1CCN(C)CC1 Homo sapiens CHEMBL995059 single protein format
CHEMBL1684073 OBDepict HO N N O N N H CH 3 H 3 C O F I IC50 = 4.0 nM 470.24 Cc1c(Nc2ccc(I)cc2F)c2c(=O)n(CCO)cnc2n(C)c1=O Homo sapiens CHEMBL1686836 single protein format
CHEMBL323515 OBDepict CH 3 O O N HN N N Cl S N N H 3 C IC50 = 4.0 nM 549.1 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL734032 single protein format
CHEMBL30359 OBDepict CH 3 O O N HN N N O S IC50 = 4.2 nM 514.65 COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL672143 single protein format
CHEMBL288081 OBDepict CH 3 O O N HN N N O S IC50 = 4.4 nM 514.65 COc1cc2c(Nc3ccc(Cc4cccs4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL672143 single protein format
CHEMBL1684063 OBDepict HO HO H N N O N N H CH 3 O F I IC50 = 4.6 nM 486.24 Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21 Homo sapiens CHEMBL1686836 single protein format
CHEMBL2146894 OBDepict I F NH F N O F OH N H CH 3 CH 3 CH 3 IC50 = 4.8 nM 533.33 CC(C)(C)NCC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 Homo sapiens CHEMBL2149502 single protein format
CHEMBL3957257 OBDepict CH 3 N H OH O O H HO H CH 3 H HO H CH 3 O IC50 = 4.8 nM 375.42 CNc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@@H](O)C(=O)/C=C/[C@@H](C)[C@H](C)OC2=O Homo sapiens CHEMBL3880853 single protein format
CHEMBL1684069 OBDepict HC F N H F O N O N N CH 3 OH H HO IC50 = 4.8 nM 402.36 C#Cc1ccc(Nc2c(F)c(=O)n(C)c3ncn(C[C@@H](O)CO)c(=O)c23)c(F)c1 Homo sapiens CHEMBL1686836 single protein format
CHEMBL1684062 OBDepict OH N N O N N H H 3 C O F I IC50 = 4.9 nM 470.24 Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(CCCO)cnc21 Homo sapiens CHEMBL1686836 single protein format
CHEMBL3699141 OBDepict H 3 C N H O NH O N H N IC50 = 5.0 nM 490.61 CCNC(=O)C#Cc1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(CN2CCCC2)cc1)c1ccccc1 Homo sapiens CHEMBL3707981 assay format
CHEMBL3086072 OBDepict H 2 N N H S HN O O O O CH 3 Cl O N O CH 3 CH 3 ClH IC50 = 5.0 nM 545.45 Cc1c(Cc2cccc(NS(=O)(=O)NCCN)c2)c(=O)oc2cc(OC(=O)N(C)C)c(Cl)cc12.Cl Homo sapiens CHEMBL3090923 assay format
CHEMBL3092178 OBDepict CH 3 N H S NH O O O O CH 3 I O N O CH 3 H 3 C IC50 = 5.0 nM 571.39 CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(I)c(OC(=O)N(C)C)cc3oc2=O)c1 Homo sapiens CHEMBL3096357 single protein format
CHEMBL520025 OBDepict OH O N CH 3 N H N Cl S N N H 3 C IC50 = 5.0 nM 492.0 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1/C=C/CCO Homo sapiens CHEMBL995059 single protein format
CHEMBL322857 OBDepict CH 3 O O N HN N N S O N N H 3 C IC50 = 5.0 nM 530.65 COc1cc2c(Nc3ccc(Sc4nccn4C)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL734032 single protein format
CHEMBL3644820 OBDepict HO N N O N N H CH 3 Cl O F I IC50 < 5.0 nM 504.69 Cn1c(=O)c(Cl)c(Nc2ccc(I)cc2F)c2c(=O)n(CCCO)cnc21 Homo sapiens CHEMBL3705246 single protein format
CHEMBL3644809 OBDepict HO HO H N N O N N H CH 3 Cl O F I IC50 < 5.0 nM 520.69 Cn1c(=O)c(Cl)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@H](O)CO)cnc21 Homo sapiens CHEMBL3705246 single protein format
CHEMBL3644819 OBDepict HO N N O N N H CH 3 Cl O F I IC50 < 5.0 nM 490.66 Cn1c(=O)c(Cl)c(Nc2ccc(I)cc2F)c2c(=O)n(CCO)cnc21 Homo sapiens CHEMBL3705246 single protein format
CHEMBL1684071 OBDepict HO HO H N N O N N H CH 3 H 3 C O F I IC50 = 5.0 nM 500.27 Cc1c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@H](O)CO)cnc2n(C)c1=O Homo sapiens CHEMBL1686836 single protein format
CHEMBL3644812 OBDepict I F N H CH 3 O N O N N H 3 C H IC50 < 5.0 nM 426.19 Cc1c(Nc2ccc(I)cc2F)c2c(=O)[nH]cnc2n(C)c1=O Homo sapiens CHEMBL3705246 single protein format
CHEMBL2146895 OBDepict CH 3 N CH 3 OH N O NH F F F I IC50 = 5.1 nM 505.28 CN(C)CC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 Homo sapiens CHEMBL2149502 single protein format
CHEMBL2146898 OBDepict I F NH F N O F OH NH 2 CH 3 H IC50 = 5.2 nM 491.25 C[C@H](N)C1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 Homo sapiens CHEMBL2149502 single protein format
CHEMBL2216826 OBDepict CH 3 N H OH O O H HO H CH 3 H HO H CH 3 O IC50 = 5.2 nM 389.45 CCNc1cc(O)c2c(c1)/C=C/C[C@@H](O)[C@H](O)C(=O)/C=C[C@H](C)[C@H](C)OC2=O Homo sapiens CHEMBL2217250 single protein format
CHEMBL3261144 OBDepict OH OH H HN O N N H N F I IC50 = 5.37 nM 432.19 O=C(NC[C@H](O)CO)c1ncncc1Nc1ccc(I)cc1F Homo sapiens CHEMBL3266112 single protein format
CHEMBL4225654 OBDepict OH O HN O N H F O F I IC50 = 5.7 nM 476.22 O=C(NOCCO)c1cc2c(c(F)c1Nc1ccc(I)cc1F)OCC2 Homo sapiens CHEMBL4220448 single protein format
CHEMBL1681812 OBDepict HO HO H N N O N N H CH 3 Cl O F I IC50 = 5.9 nM 520.69 Cn1c(=O)c(Cl)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21 Homo sapiens CHEMBL1686836 single protein format
CHEMBL1077979 OBDepict CH 3 O OH O O H HO H CH 3 H HO O IC50 = 6.0 nM 362.38 COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)C(=O)/C=CC[C@H](C)OC2=O Homo sapiens CHEMBL2217250 single protein format
CHEMBL361708 OBDepict NH 2 N N H O HN N Br O H IC50 = 6.0 nM 324.14 NC1=NC(=O)/C(=C2CCNC(=O)c3[nH]c(Br)cc32)N1 Homo sapiens CHEMBL939218 single protein format
CHEMBL3699140 OBDepict F N H O NH O N H N IC50 = 6.0 nM 508.6 O=C(C#Cc1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(CN2CCCC2)cc1)c1ccccc1)NCCF Homo sapiens CHEMBL3707981 assay format
CHEMBL450271 OBDepict CH 3 O N HN N N Cl S N N N CH 3 H 3 C IC50 = 6.0 nM 588.18 COc1cc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2cc1/C=C/CCCN1CCN(C)CC1 Homo sapiens CHEMBL995059 single protein format
CHEMBL4226300 OBDepict OH HO H O NH O N H F O F I IC50 = 6.0 nM 506.24 O=C(NOC[C@@H](O)CO)c1cc2c(c(F)c1Nc1ccc(I)cc1F)OCC2 Homo sapiens CHEMBL4220448 single protein format
CHEMBL3699138 OBDepict H 3 C N CH 3 N H O N H NH O F F IC50 = 6.0 nM 500.55 CN(C)Cc1ccc(N/C(=C2C(=O)Nc3cc(C#CC(=O)NCC(F)F)ccc32)c2ccccc2)cc1 Homo sapiens CHEMBL3707981 assay format
CHEMBL151430 OBDepict H 2 N N N H NH Br N Br O H IC50 = 6.0 nM 389.05 Nc1nc(C2CCNC(=O)c3[nH]c(Br)c(Br)c32)c[nH]1 Homo sapiens CHEMBL2379196 single protein format
CHEMBL2146888 OBDepict NH 2 OH N O N H F F F I IC50 = 6.6 nM 477.22 NCC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 Homo sapiens CHEMBL2149502 single protein format
CHEMBL201629 OBDepict Br F NH F N NH O O H 3 C O IC50 = 6.8 nM 428.23 Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O Homo sapiens CHEMBL859549 single protein format
CHEMBL1172521 OBDepict H 2 N N O N H N H 3 C O CH 3 F I IC50 = 7.0 nM 456.26 CC(=O)c1cc(C(=O)N2CC(N)C2)c(Nc2ccc(I)cc2F)n1C Homo sapiens CHEMBL1175386 single protein format
CHEMBL414139 OBDepict CH 3 O O N N H N N O O IC50 = 7.0 nM 510.59 COc1cc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL710957 single protein format
CHEMBL507361 OBDepict OH OH H O N H O N H F F F I IC50 = 7.0 nM 482.2 O=C(NOC[C@H](O)CO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL2379959 single protein format
CHEMBL4225401 OBDepict OH HO H O NH O N H F O F I IC50 = 7.0 nM 506.24 O=C(NOC[C@H](O)CO)c1cc2c(c(F)c1Nc1ccc(I)cc1F)OCC2 Homo sapiens CHEMBL4220448 single protein format
CHEMBL3086065 OBDepict CH 3 N H S NH O O O O CH 3 Cl O N O CH 3 H 3 C IC50 = 7.0 nM 479.94 CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1 Homo sapiens CHEMBL3090923 assay format
CHEMBL288349 OBDepict N OH S NH 2 N H 2 N IC50 = 7.0 nM 398.49 N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(O)c2ccc(C#N)cc2)c1 Homo sapiens CHEMBL729500 single protein format
CHEMBL1684493 OBDepict OH O HN O N H F N F O F O I IC50 = 7.2 nM 551.26 O=C(NOCCO)c1cc(CN2OCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL3705128 single protein format
CHEMBL2146892 OBDepict CH 3 N H OH N O N H F F F I IC50 = 7.2 nM 505.28 CCNCC1(O)CN(C(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)C1 Homo sapiens CHEMBL2149502 single protein format
CHEMBL2146896 OBDepict I F NH F N O F OH N IC50 = 7.6 nM 531.32 O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)(CN2CCCC2)C1 Homo sapiens CHEMBL2149502 single protein format
CHEMBL4228161 OBDepict OH O H 3 C H 3 C N H O N H F O F I IC50 = 7.6 nM 502.26 CC(C)(CO)ONC(=O)c1cc2ccoc2c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL4220448 single protein format
CHEMBL2335186 OBDepict HO O NH O N H F F F Br IC50 = 7.7 nM 405.17 O=C(NOCCO)c1ccc(F)c(F)c1Nc1ccc(Br)cc1F Homo sapiens CHEMBL2341896 single protein format
CHEMBL4530560 OBDepict OH O N H O N H F F F Br IC50 = 7.7 nM 419.2 O=C(NOCCCO)c1ccc(F)c(F)c1Nc1ccc(Br)cc1F Homo sapiens CHEMBL4320879 single protein format
CHEMBL318326 OBDepict H 3 C O O N N H N N Cl S O N IC50 = 8.0 nM 562.1 COc1cc2c(Nc3ccc(Sc4ccccn4)c(Cl)c3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL734032 single protein format
CHEMBL35598 OBDepict N OH S NH 2 N HO IC50 = 8.0 nM 399.48 N#C/C(=C(/N)Sc1ccccc1O)c1cccc(C(O)c2ccc(C#N)cc2)c1 Homo sapiens CHEMBL729500 single protein format
CHEMBL36664 OBDepict N S NH 2 NH 2 OH + N O _ O IC50 = 8.0 nM 418.48 N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(O)c2ccc([N+](=O)[O-])cc2)c1 Homo sapiens CHEMBL729500 single protein format
CHEMBL34184 OBDepict N S NH 2 NH 2 OH + N O _ O + N O _ O IC50 = 8.0 nM 463.48 N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 Homo sapiens CHEMBL729500 single protein format
CHEMBL3884281 OBDepict CH 2 NH O O N Cl N N H N N O IC50 = 8.2 nM 440.89 C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(C3CCOCC3)c2)ncc1Cl Homo sapiens CHEMBL3876689 assay format
CHEMBL1684064 OBDepict HO HO H N N O N N H CH 3 O F I IC50 = 8.3 nM 486.24 Cn1c(=O)cc(Nc2ccc(I)cc2F)c2c(=O)n(C[C@H](O)CO)cnc21 Homo sapiens CHEMBL1686836 single protein format
CHEMBL3884839 OBDepict H 3 C O N N NH N N O Cl HN O H 2 C IC50 = 8.5 nM 414.85 C=CC(=O)Nc1ccccc1Oc1nc(Nc2cnn(CCOC)c2)ncc1Cl Homo sapiens CHEMBL3876689 assay format
CHEMBL1684492 OBDepict OH O HN O N H F N F O F O CH 3 CH 3 I IC50 = 8.6 nM 553.27 CON(Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)c(F)c1F)C(C)=O Homo sapiens CHEMBL3705128 single protein format
CHEMBL1684072 OBDepict HO N N O N N H CH 3 F O F I IC50 = 8.6 nM 474.21 Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(CCO)cnc21 Homo sapiens CHEMBL1686836 single protein format
CHEMBL1614766 OBDepict HO O NH O N H F N F O F O I IC50 = 8.8 nM 565.29 O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F Homo sapiens CHEMBL3705128 single protein format
CHEMBL2012893 OBDepict HO O NH O NH N H 3 C O F I IC50 = 8.9 nM 473.24 Cn1c(Nc2ccc(I)cc2F)c(C(=O)NOCCO)c2c1C(=O)CC2 Homo sapiens CHEMBL2016104 single protein format
CHEMBL3884229 OBDepict CH 2 O O NH N Cl N N H N O IC50 = 8.9 nM 451.91 C=CC(=O)Oc1ccccc1Nc1nc(Nc2ccc(N3CCOCC3)cc2)ncc1Cl Homo sapiens CHEMBL3876689 assay format
CHEMBL3086078 OBDepict O N O CH 3 CH 3 F O O CH 3 F HN S O O NH 2 IC50 = 9.0 nM 467.45 Cc1c(Cc2cccc(NS(N)(=O)=O)c2F)c(=O)oc2cc(OC(=O)N(C)C)c(F)cc12 Homo sapiens CHEMBL3090923 assay format
CHEMBL102786 OBDepict CH 3 O O N HN N N Cl S O N S IC50 = 9.0 nM 568.12 COc1cc2c(Nc3ccc(Sc4nccs4)c(Cl)c3)c(C#N)cnc2cc1OCCCN1CCOCC1 Homo sapiens CHEMBL734032 single protein format
CHEMBL372600 OBDepict OH O HN O N N H CH 3 F O F Br IC50 = 9.3 nM 418.19 Cn1cc(C(=O)NOCCO)c(Nc2ccc(Br)cc2F)c(F)c1=O Homo sapiens CHEMBL859549 single protein format
CHEMBL3885421 OBDepict H 2 C O O N H N Cl N HN N N O CH 3 IC50 = 9.5 nM 492.97 C=CC(=O)Oc1ccccc1Nc1nc(Nc2cccc(N3CCN(C(C)=O)CC3)c2)ncc1Cl Homo sapiens CHEMBL3876689 assay format
CHEMBL3900978 OBDepict O O H H 3 C OH H H 3 C O H OH H HO N N IC50 = 9.5 nM 454.52 C[C@@H]1OC(=O)c2c(O)cc(CCCn3ccnc3)cc2/C=C/C[C@H](O)[C@H](O)C(=O)/C=C[C@H]1C Homo sapiens CHEMBL3880853 single protein format