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Q99683 | M3K5_HUMAN | Mitogen-activated protein kinase kinase kinase 5 (MAP3K5)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // DUF4071 ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "PH domain-like" // KOG4279 ]

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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
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -34300.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804422 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -12400.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804422 cell-based format
CHEMBL4860979 OBDepict F S N O O CH 3 N H 2 N O N H IC50 = -6200.0 nM 466.54 CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1 Homo sapiens CHEMBL4804422 cell-based format
CHEMBL4283739 OBDepict H 3 C O H 3 C NH O S O O H 2 N N N N N H 3 C CH 3 IC50 = 0.1 nM 430.49 COc1cc(C)c(S(N)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4255094 assay format
CHEMBL4290518 OBDepict H 3 C O N H O N H S N O O CH 3 N N N H 3 C CH 3 IC50 = 0.32 nM 444.52 CCS(=O)(=O)Nc1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1 Homo sapiens CHEMBL4255094 assay format
CHEMBL4294318 OBDepict H 3 C O H 3 C NH O O H 2 N N N N N H 3 C CH 3 IC50 = 0.42 nM 394.44 COc1cc(C)c(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4255094 assay format
CHEMBL3683270 OBDepict O N H N N N S N N N N N H 3 C H F F F IC50 = 0.7 nM 557.61 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3705386 single protein format
CHEMBL4083562 OBDepict O N H N N N S N N N N N H 3 C F F F IC50 = 0.7 nM 557.61 CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL4024899 single protein format
CHEMBL4868362 OBDepict CH 3 O N N CH 3 NH O N N N N F F F IC50 = 1.0 nM 407.36 COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4282644 OBDepict H 3 C O NH O O H 2 N N N N N H 3 C CH 3 IC50 = 1.0 nM 380.41 COc1ccc(C(N)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4255094 assay format
CHEMBL3683259 OBDepict O N H N N N S N N N N N O IC50 = 1.44 nM 503.59 O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCOCC2)cn1 Homo sapiens CHEMBL3705386 single protein format
CHEMBL3683260 OBDepict O N H N N N S N N N N N CH 3 OH IC50 = 1.58 nM 503.59 CC1(O)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)C1 Homo sapiens CHEMBL3705386 single protein format
CHEMBL3683262 OBDepict O N H N N N S N N N N N H 3 C HO H 3 C H F F F IC50 = 1.69 nM 559.58 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C)(O)C3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3705386 single protein format
CHEMBL3683265 OBDepict O NH N N N S N N N N N CH 3 H F F F IC50 = 1.7 nM 529.55 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3705386 single protein format
CHEMBL3687971 OBDepict O N H N N N S N N N N N CH 3 H CH 3 OH F F F IC50 = 1.8 nM 587.63 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(C)(O)CC3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3705386 single protein format
CHEMBL3683263 OBDepict O N H N N N S N H 3 C CH 3 N N N N H 3 C H F F F IC50 = 1.88 nM 517.54 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N(C)C)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3705386 single protein format
CHEMBL3683267 OBDepict O N H N N N S N N N N N IC50 = 1.9 nM 487.59 O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCC2)cn1 Homo sapiens CHEMBL3705386 single protein format
CHEMBL4634900 OBDepict CH 3 O N N N H O N N N H 3 C CH 3 N N N CH 3 H 3 C IC50 = 1.9 nM 447.5 COc1nn(-c2cncc(N(C)C)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL3644048 OBDepict OH HO CH 3 NH O N N Br IC50 = 2.0 nM 430.3 C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Br)cn3C2CC2)cc1 Homo sapiens CHEMBL3705518 single protein format
CHEMBL4875364 OBDepict O HN N N N N N H 3 C H F F F IC50 = 2.0 nM 412.38 C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3cccnc23)n1)C(F)(F)F Homo sapiens CHEMBL4845477 single protein format
CHEMBL4850048 OBDepict CH 3 O N N O H 3 C N H O N N N N CH 3 H F F F IC50 = 2.0 nM 439.4 COCCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL3937743 OBDepict OH HO H 3 C N H O N N Br CH 3 IC50 = 2.0 nM 418.29 CCn1cc(Br)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21 Homo sapiens CHEMBL3705518 single protein format
CHEMBL3639821 OBDepict O N H N N N S N N N N N IC50 = 2.0 nM 501.62 O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCCCC2)cn1 Homo sapiens CHEMBL3705386 single protein format
CHEMBL4857751 OBDepict H 3 C O N N N H O CH 3 N N N N CH 3 H F F F IC50 = 2.0 nM 409.37 CCn1cc(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)c(OC)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4871543 OBDepict CH 3 O N N N H O N N N N H 3 C H F F F IC50 = 2.0 nM 435.41 COc1nn(CC2CC2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4743649 OBDepict CH 3 N O HN O N N N N CH 3 H 3 C IC50 = 2.0 nM 330.39 CC(C)n1cnnc1-c1cccc(NC(=O)C2CN(C)CCO2)n1 Homo sapiens CHEMBL4727543 single protein format
CHEMBL3687973 OBDepict H 3 C N N N N N HN O N S N N N H 3 C H F F F IC50 = 2.1 nM 572.62 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C)CC3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3705386 single protein format
CHEMBL3683266 OBDepict O N H N N N S N N N N N CH 3 H F F F IC50 = 2.2 nM 543.58 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCC3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3705386 single protein format
CHEMBL3683269 OBDepict HO N N N N N H O N S N N N H 3 C H F F F IC50 = 2.2 nM 559.58 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(O)C3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3705386 single protein format
CHEMBL3683264 OBDepict O N H N N N S N N N N N IC50 = 2.4 nM 473.57 O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC2)cn1 Homo sapiens CHEMBL3705386 single protein format
CHEMBL4279174 OBDepict CH 3 NH O O HN O CH 3 N N N N CH 3 H 3 C IC50 = 2.4 nM 394.44 CNC(=O)c1ccc(OC)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c1 Homo sapiens CHEMBL4255094 assay format
CHEMBL4641666 OBDepict H 3 C O N N CH 3 N H O N N N CH 3 H 3 C IC50 = 2.4 nM 340.39 COc1nn(C)cc1C(=O)Nc1cccc(-c2cncn2C(C)C)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL3687972 OBDepict O N H N N N S N N N N N CH 3 OH IC50 = 2.5 nM 531.65 CC1(O)CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1 Homo sapiens CHEMBL3705386 single protein format
CHEMBL3683261 OBDepict O N H N N N S N N N N N O H 3 C H F F F IC50 = 2.62 nM 559.58 C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCOCC3)cn2)cs1)C(F)(F)F Homo sapiens CHEMBL3705386 single protein format
CHEMBL4783726 OBDepict O N H N N N N N N IC50 = 2.87 nM 411.47 O=C(Nc1cccc(-c2nncn2C2CC2)c1)c1cc(-n2cnc(C3CC3)c2)ccn1 Homo sapiens CHEMBL4686963 single protein format
CHEMBL3644036 OBDepict O N H N N OH CH 3 H 3 C Br IC50 = 3.0 nM 428.33 CC(C)(O)c1ccc(C(=O)Nc2cc3c(cn2)c(Br)cn3CC2CC2)cc1 Homo sapiens CHEMBL3705518 single protein format
CHEMBL4860819 OBDepict H 3 C O N N CH 3 N H O N N N N CH 3 H F F F IC50 = 3.0 nM 395.35 COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4862258 OBDepict H 3 C O N N N H O F F F N N N N CH 3 H F F F IC50 = 3.0 nM 463.34 COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4866921 OBDepict H 3 C O N N N H O N N N N N N CH 3 H F F F IC50 = 3.0 nM 459.39 COc1nn(-c2cnccn2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL3683268 OBDepict HO N N N N HN O N S N N N IC50 = 3.0 nM 503.59 O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCC(O)C2)cn1 Homo sapiens CHEMBL3705386 single protein format
CHEMBL4862847 OBDepict H 3 C O N N N H O N N N N N N CH 3 H F F F IC50 = 3.0 nM 459.39 COc1nn(-c2cccnn2)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4861953 OBDepict H 3 C O NH O N N N N H 3 C H F F F IC50 = 3.0 nM 391.35 COc1ccccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4877113 OBDepict O HN N N N N N N H 3 C H F F F IC50 = 3.0 nM 413.36 C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3nccnc23)n1)C(F)(F)F Homo sapiens CHEMBL4845477 single protein format
CHEMBL4853505 OBDepict CH 3 O N HN O CH 3 N N N N CH 3 H F F F IC50 = 3.0 nM 406.37 COc1ncc(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL3644037 OBDepict CH 3 N Br N N H O OH H 3 C H 3 C IC50 = 3.0 nM 402.29 CCn1cc(Br)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21 Homo sapiens CHEMBL3705518 single protein format
CHEMBL3687974 OBDepict H 3 C N N N N N N H O N S N N N IC50 = 3.1 nM 516.64 CN1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C4CC4)n3)cc2-n2cnc(C3CC3)c2)CC1 Homo sapiens CHEMBL3705386 single protein format
CHEMBL4643577 OBDepict H 3 C O N N CH 3 N H O N N N N CH 3 H 3 C IC50 = 3.9 nM 341.38 COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL3644049 OBDepict OH HO CH 3 NH O N N Cl IC50 = 4.0 nM 385.85 C[C@](O)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Cl)cn3C2CC2)cc1 Homo sapiens CHEMBL3705518 single protein format
CHEMBL4569388 OBDepict CH 3 N N O O N H N N N N IC50 = 4.0 nM 415.46 Cc1cn(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4514925 OBDepict O N H N O N N N H CH 3 IC50 = 4.0 nM 349.39 C[C@H]1CCCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn21 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4289040 OBDepict H 3 C O H 3 C NH O S O O H 3 C N N N N H 3 C CH 3 IC50 = 4.0 nM 429.5 COc1cc(C)c(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4255094 assay format
CHEMBL4640063 OBDepict H 3 C O N N N H O CH 3 N N N N CH 3 H 3 C IC50 = 4.1 nM 355.4 CCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL4855907 OBDepict O N H F N N CH 3 N N N N CH 3 H F F F IC50 = 4.3 nM 499.47 Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1 Homo sapiens CHEMBL4820064 single protein format
CHEMBL3644041 OBDepict O N H N N HO H 3 C CH 3 CH 3 Br IC50 = 5.0 nM 388.27 Cn1cc(Br)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21 Homo sapiens CHEMBL3705518 single protein format
CHEMBL3916717 OBDepict O N H F N N CH 3 N N N N CH 3 H 3 C IC50 = 5.0 nM 445.5 Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1-n1cnc(C2CC2)c1 Homo sapiens CHEMBL4011131 single protein format
CHEMBL4475667 OBDepict CH 3 N N O O N H N N N N IC50 = 5.0 nM 415.46 Cn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4860731 OBDepict H 3 C O N N CH 3 N H O N N N N H O IC50 = 5.0 nM 369.39 COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCOC2)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4876558 OBDepict H 3 C O N N H 3 C N H O N N N N F F IC50 = 5.0 nM 389.37 COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2CCC2(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4287097 OBDepict H 3 C O NH O S O O H 3 C N N N N H 3 C CH 3 IC50 = 5.0 nM 415.48 COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4255094 assay format
CHEMBL4633993 OBDepict H 3 C O N N N H O N N N N N CH 3 H 3 C IC50 = 5.3 nM 404.43 COc1nn(-c2cccnc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL4642251 OBDepict H 3 C O N N N H O N N N N N CH 3 CH 3 IC50 = 5.6 nM 444.5 COc1nn(-c2cncc(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL3955000 OBDepict OH HO H 3 C N H O N N Cl CH 3 IC50 = 6.0 nM 373.84 CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21 Homo sapiens CHEMBL3705518 single protein format
CHEMBL4456722 OBDepict CH 3 N H 3 C N N O O N H N N N N IC50 = 6.0 nM 472.55 CN(C)CCn1cc(-c2ccc3c(c2)C(=O)Nc2cccc(n2)-c2nncn2CCCCO3)cn1 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4878163 OBDepict H 3 C O N N CH 3 N H O N N N N CH 3 H F F IC50 = 6.0 nM 377.36 COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL3330167 OBDepict H N N N N N H O CH 3 CH 3 H 3 C IC50 = 6.3 nM 359.43 CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4cn[nH]c4)ccc3n2)cc1 Homo sapiens CHEMBL3375026 single protein format
CHEMBL3683258 OBDepict CH 3 O H O N H N H H 3 C N NH O IC50 = 6.3 nM 452.51 CN[C@@H]1CC2OC([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3705386 single protein format
CHEMBL4646085 OBDepict CH 3 N N O O N H N H H 3 C N N N IC50 = 6.8 nM 353.39 C[C@H]1CCCOc2nn(C)cc2C(=O)Nc2cccc(n2)-c2nncn21 Homo sapiens CHEMBL4605628 single protein format
CHEMBL4647065 OBDepict CH 3 O N N N H O N N N N H 3 C CH 3 IC50 = 6.9 nM 381.44 COc1nn(CC2CC2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL4562269 OBDepict F O O N H N H CH 3 N N N IC50 = 7.0 nM 367.38 C[C@H]1CCCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn21 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4849014 OBDepict CH 3 O N HN O F N N N N CH 3 H F F F IC50 = 7.0 nM 410.33 COc1ncc(F)cc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL3916273 OBDepict OH OH CH 3 N H O N N CH 3 Br IC50 = 7.0 nM 404.26 Cn1cc(Br)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21 Homo sapiens CHEMBL3705518 single protein format
CHEMBL4852061 OBDepict H 3 C O N NH O N N N N H 3 C H F F F IC50 = 7.0 nM 392.34 COc1ncccc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL3644038 OBDepict CH 3 N CH 3 N N H O OH H 3 C H 3 C IC50 = 7.0 nM 337.42 CCn1cc(C)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21 Homo sapiens CHEMBL3705518 single protein format
CHEMBL4874460 OBDepict O HN O N N H 3 C N N N H 3 C H F F F IC50 = 7.0 nM 432.41 C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccc3c2OCCN3C)n1)C(F)(F)F Homo sapiens CHEMBL4845477 single protein format
CHEMBL4865259 OBDepict OH N CH 3 N N N N H O N O N H 3 C CH 3 IC50 = 7.0 nM 357.37 COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)CO)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4641264 OBDepict CH 3 O N N O H 3 C N H O N N N N CH 3 H 3 C IC50 = 7.3 nM 385.43 COCCn1cc(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)c(OC)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL3330168 OBDepict NH 2 O H N N O H N IC50 = 7.9 nM 396.45 NC[C@H](Oc1cnc(-c2ccoc2)c(-c2c[nH]c3ncccc23)c1)c1ccccc1 Homo sapiens CHEMBL3375026 single protein format
CHEMBL4848618 OBDepict H 3 C O N N CH 3 N H O N N N N H O IC50 = 8.0 nM 369.39 COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@H]2CCOC2)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4473364 OBDepict O NH N O S O O CH 3 N N N IC50 = 8.0 nM 413.46 CS(=O)(=O)c1ccc2c(c1)C(=O)Nc1cccc(n1)-c1nncn1CCCCO2 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4591648 OBDepict H 3 C N CH 3 N N F O O N H N H CH 3 N N N IC50 = 8.0 nM 504.57 C[C@@H]1CCOc2cc(F)c(-c3cnn(CCN(C)C)c3)cc2C(=O)Nc2cccc(n2)-c2nncn2C1 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4542440 OBDepict F O O N H N H H 3 C N N N IC50 = 8.0 nM 367.38 C[C@@H]1CCOc2cc(F)ccc2C(=O)Nc2cccc(n2)-c2nncn2C1 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4590290 OBDepict F O O N H N N N N IC50 = 8.0 nM 353.36 O=C1Nc2cccc(n2)-c2nncn2CCCCOc2cc(F)ccc21 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4548492 OBDepict O N H N O N N N N O IC50 = 8.0 nM 420.47 O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(N3CCOCC3)cc21 Homo sapiens CHEMBL4324209 single protein format
CHEMBL3963789 OBDepict OH HO H 3 C N H O N N Cl CH 3 IC50 = 9.0 nM 373.84 CCn1cc(Cl)c2cnc(NC(=O)c3ccc([C@](C)(O)CO)cc3)cc21 Homo sapiens CHEMBL3705518 single protein format
CHEMBL4857053 OBDepict H 3 C O N N CH 3 N H O N N N N CH 3 F F F IC50 = 9.0 nM 395.35 COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C(C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4449840 OBDepict CH 3 O O N H 3 C O HN O N O H 3 C CH 3 IC50 = 9.0 nM 509.56 COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c5ccccc5c4=O)cc3)c2cc1OC Homo sapiens CHEMBL4324209 single protein format
CHEMBL3644050 OBDepict O N H N N HO H 3 C CH 3 CH 3 Cl IC50 = 11.0 nM 343.81 Cn1cc(Cl)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21 Homo sapiens CHEMBL3705518 single protein format
CHEMBL4561768 OBDepict O N H N O N N N IC50 = 11.0 nM 335.37 O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccccc21 Homo sapiens CHEMBL4324209 single protein format
CHEMBL4442116 OBDepict O N H N O N N H H 3 C N IC50 = 13.0 nM 349.39 C[C@@H]1CCn2cnnc2-c2cccc(n2)NC(=O)c2ccccc2OC1 Homo sapiens CHEMBL4324209 single protein format
CHEMBL3952214 OBDepict O N N N N N CH 3 H 3 C IC50 = 14.0 nM 319.37 CC(C)n1cnnc1-c1cccc(N2Cc3ccccc3C2=O)n1 Homo sapiens CHEMBL4727543 single protein format
CHEMBL1642655 OBDepict O N H N N H 3 C CH 3 H 3 C N N IC50 = 14.0 nM 359.43 CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4ccnc4)ccc3n2)cc1 Homo sapiens CHEMBL1648128 single protein format
CHEMBL3910870 OBDepict OH HO H 3 C N H O N N CH 3 CH 3 IC50 = 14.0 nM 353.42 CCn1cc(C)c2cnc(NC(=O)c3ccc([C@@](C)(O)CO)cc3)cc21 Homo sapiens CHEMBL3705518 single protein format
CHEMBL4462230 OBDepict O N H N O N N N H H 3 C IC50 = 14.0 nM 349.39 C[C@@H]1CCOc2ccccc2C(=O)Nc2cccc(n2)-c2nncn2C1 Homo sapiens CHEMBL4324209 single protein format
CHEMBL1642656 OBDepict O N H N N CH 3 CH 3 CH 3 IC50 = 15.0 nM 343.43 CC(C)(C)c1ccc(C(=O)Nc2cn3c(ccc4ccccc43)n2)cc1 Homo sapiens CHEMBL1648128 single protein format
CHEMBL3644053 OBDepict OH CH 3 H 3 C NH O N N Cl IC50 = 16.0 nM 383.88 CC(C)(CO)c1ccc(C(=O)Nc2cc3c(cn2)c(Cl)cn3C2CC2)cc1 Homo sapiens CHEMBL3705948 single protein format
CHEMBL2205628 OBDepict Cl N N N H O CH 3 CH 3 H 3 C IC50 = 16.0 nM 327.82 CC(C)(C)c1ccc(C(=O)Nc2cn3cc(Cl)ccc3n2)cc1 Homo sapiens CHEMBL2214716 cell-based format
CHEMBL4638598 OBDepict H 3 C O N N N H O N N N N N N CH 3 H 3 C IC50 = 16.0 nM 405.42 COc1nn(-c2cncnc2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL4642504 OBDepict H 3 C O N N N H O N N N N N CH 3 H 3 C IC50 = 17.0 nM 404.43 COc1nn(-c2ccccn2)cc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1 Homo sapiens CHEMBL4605628 single protein format
CHEMBL4862220 OBDepict H 3 C O N N NH O N N N N H 3 C H F F F IC50 = 17.0 nM 393.33 COc1ncncc1C(=O)Nc1cccc(-c2nncn2[C@@H](C)C(F)(F)F)n1 Homo sapiens CHEMBL4845477 single protein format
CHEMBL4469413 OBDepict F O O N H N N N N IC50 = 17.0 nM 353.36 O=C1Nc2cccc(n2)-c2nncn2CCCCOc2ccc(F)cc21 Homo sapiens CHEMBL4324209 single protein format