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Q99558 | M3K14_HUMAN | Mitogen-activated protein kinase kinase kinase 14 (MAP3K14)

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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3696534 OBDepict CH 3 N O HO O N S O H 2 N Ki = 0.04 nM 383.43 CN1CCC(O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL4205698 OBDepict CH 3 O N N O H 2 N HO O N CH 3 Ki = 0.05 nM 404.43 COc1ccc2c(-c3cccc(C#C[C@]4(O)CCN(C)C4=O)c3)nc(C(N)=O)n2c1 Homo sapiens CHEMBL4195748 cell-based format
CHEMBL3696579 OBDepict CH 3 N O HO O N S O H 2 N Ki = 0.055 nM 383.43 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL4215425 OBDepict CH 3 N O HO N O H 2 N Ki = 0.07 nM 385.42 CN1CC[C@@](O)(C#Cc2cccc(-c3cc4ccccc4c(C(N)=O)n3)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL4216289 OBDepict H 3 C N O OH N NH 2 O NH 2 Ki = 0.07 nM 350.38 CN1CC[C@@](O)(C#Cc2cccc(-c3ccc(N)c(C(N)=O)n3)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL4211046 OBDepict CH 3 N O HO N N N O H 2 N Ki = 0.08 nM 375.39 CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL3700218 OBDepict O HN OH O N S H CH 3 O NH 2 Ki = 0.1 nM 383.43 C[C@H]1COc2ccc(C#C[C@]3(O)CCNC3=O)cc2-c2nc(C(N)=O)sc21 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696695 OBDepict CH 3 N O HO O N S F F O H 2 N Ki < 0.1 nM 419.41 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL4115488 OBDepict CH 3 O N HO H 3 C N N O H 2 N HO H N H 3 C N Ki = 0.1 nM 498.54 Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c([C@H](O)c4ccnn4C)n2C2CC3C2)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3934782 OBDepict CH 3 O N HO H 3 C N N O H 2 N HO H N H 3 C N Ki = 0.1 nM 498.54 Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c([C@@H](O)c4ccnn4C)n2C2CC3C2)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700225 OBDepict O HN OH O N S H CH 3 O NH 2 Ki = 0.1 nM 383.43 C[C@@H]1COc2ccc(C#C[C@]3(O)CCNC3=O)cc2-c2nc(C(N)=O)sc21 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696576 OBDepict H 3 C N H O N N O NH 2 F OH Ki = 0.12 nM 422.46 CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCCC3)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696555 OBDepict H 3 C N H O N N O NH 2 OH CH 3 CH 3 Ki = 0.12 nM 378.43 CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL4204233 OBDepict CH 3 O N N N O H 2 N HO O N CH 3 Ki = 0.13 nM 405.41 COc1cnc2c(c1)c(C(N)=O)nn2-c1cccc(C#C[C@]2(O)CCN(C)C2=O)c1 Homo sapiens CHEMBL4195748 cell-based format
CHEMBL4524153 OBDepict H 3 C O N N N N H 2 N OH CH 3 N O H 3 C Ki = 0.16 nM 404.43 CCOc1nc2ccc(C#C[C@@](C)(O)c3ncc(C)o3)cc2n1-c1ccnc(N)n1 Homo sapiens CHEMBL4307635 single protein format
CHEMBL3696586 OBDepict F N OH H 3 C N N N CH 3 O NH 2 Ki = 0.16 nM 417.44 Cn1c(C(N)=O)nc2c1C1CC(C1)c1cc(F)c(C#C[C@@](C)(O)c3ncccn3)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL4211551 OBDepict F N N O H 2 N N HO O N CH 3 Ki = 0.17 nM 393.38 CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4cc(F)ccc43)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL4217407 OBDepict CH 3 N O HO N N O H 2 N Ki = 0.18 nM 374.4 CN1CC[C@@](O)(C#Cc2cccc(-c3nc(C(N)=O)n4ccccc34)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL3692395 OBDepict F O N OH S O NH 2 Ki = 0.2 nM 372.42 NC(=O)c1nc2c(s1)CCOc1cc(F)c(C#CC3(O)CCCC3)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696652 OBDepict H 3 C N H O N N O NH 2 OH Ki = 0.2 nM 390.44 CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#CC3(O)CCC3)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL4110869 OBDepict CH 3 O N HO H 3 C N N O H 2 N N H 3 C N Ki = 0.2 nM 482.54 Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(Cc4ccnn4C)n2C2CC3C2)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL4112609 OBDepict CH 3 O N OH H 3 C O N S O H 2 N Ki = 0.2 nM 395.44 Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700272 OBDepict CH 3 N O OH F O N S F F O NH 2 Ki = 0.2 nM 437.4 CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCC(F)(F)c2sc(C(N)=O)nc2-3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL4113253 OBDepict CH 3 O N HO H 3 C F N N H O H 2 N Ki = 0.2 nM 406.42 Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)c2[nH]c(C(N)=O)nc2-3)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL4209095 OBDepict CH 3 N O HO N N N O H 2 N Ki = 0.23 nM 375.39 CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cccnc43)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL4211840 OBDepict CH 3 O N O NH 2 OH O N H 3 C Ki = 0.23 nM 365.39 COc1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c1 Homo sapiens CHEMBL4195748 cell-based format
CHEMBL4212052 OBDepict CH 3 N O HO N N O H 2 N Ki = 0.23 nM 374.4 CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL3696566 OBDepict CH 3 N O OH F O N N O NH 2 Ki = 0.24 nM 384.37 CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL4208337 OBDepict F N N O H 2 N HO O N CH 3 Ki = 0.27 nM 392.39 CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(F)ccc43)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL3957252 OBDepict H 3 C O N HO H 3 C N N O H 2 N Ki = 0.29 nM 388.43 Cc1cnc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)o1 Homo sapiens CHEMBL3706045 assay format
CHEMBL4109262 OBDepict H 3 C O N HO H 3 C N N O H 2 N Ki = 0.29 nM 388.43 Cc1cnc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)o1 Homo sapiens CHEMBL3706045 assay format
CHEMBL4113471 OBDepict CH 3 O N HO H 3 C N N O H 2 N Ki = 0.3 nM 388.43 Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700328 OBDepict CH 3 N O HO N O N O H 2 N F F Ki = 0.3 nM 416.38 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)F)c2CCO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL4285011 OBDepict NH 2 N N Cl N N HO H 3 C N S Ki = 0.3 nM 396.86 C[C@](O)(C#Cc1ccc2ncc(-c3nc(N)ncc3Cl)n2c1)c1nccs1 Homo sapiens CHEMBL4259988 single protein format
CHEMBL3692450 OBDepict CH 3 N H O N N O NH 2 O OH H 3 C N O H 3 C Ki = 0.3 nM 435.44 CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696699 OBDepict F N OH CH 3 H 3 C N O H 2 N F F Ki = 0.3 nM 389.38 CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)c1c-2nc(C(N)=O)n1C(F)F Homo sapiens CHEMBL3706045 assay format
CHEMBL4098056 OBDepict H 3 C O N HO CH 3 F O N N O H 2 N Ki = 0.3 nM 396.38 Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL4111969 OBDepict CH 3 O N HO CH 3 F N N O H 2 N Ki = 0.31 nM 446.48 Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C2CC2)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696560 OBDepict CH 3 N H 3 C H O S N O NH 2 F HO CH 3 N O CH 3 Ki = 0.33 nM 456.5 Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OC[C@H](N(C)C)c2sc(C(N)=O)nc2-3)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700298 OBDepict CH 3 N O HO N O N F F O H 2 N Ki = 0.33 nM 402.36 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C(F)(F)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700299 OBDepict CH 3 N O HO N O N F F O H 2 N Ki = 0.33 nM 402.36 CN1CC[C@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C(F)(F)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3696558 OBDepict CH 3 N H 3 C H O S N O NH 2 F HO CH 3 N O CH 3 Ki = 0.33 nM 456.5 Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OC[C@@H](N(C)C)c2sc(C(N)=O)nc2-3)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700221 OBDepict H 3 C N O OH N O N H CH 3 O NH 2 F F F Ki = 0.39 nM 448.4 C[C@@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-n2nc(C(N)=O)c(C(F)(F)F)c21 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700227 OBDepict H 3 C N O OH N O N H CH 3 O NH 2 F F F Ki = 0.39 nM 448.4 C[C@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-n2nc(C(N)=O)c(C(F)(F)F)c21 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700276 OBDepict CH 3 N O HO O N S H HO O H 2 N Ki = 0.4 nM 399.43 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](O)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3692522 OBDepict NH 2 O N N N N H N O F N OH CH 3 H 3 C Ki = 0.4 nM 473.47 CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1nc(-c2cccnc2)n[nH]1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3692439 OBDepict N NH O N N O H 2 N O F HO CH 3 CH 3 Ki = 0.4 nM 411.39 CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1C(=O)NCC#N Homo sapiens CHEMBL3706045 assay format
CHEMBL3700277 OBDepict CH 3 N O HO O N S H HO O H 2 N Ki = 0.4 nM 399.43 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](O)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3187788 OBDepict NH 2 N N N Cl HO CH 3 N S Ki = 0.4 nM 397.89 CC(O)(C#Cc1ccc2c(c1)N(c1nc(N)ncc1Cl)CC2)c1nccs1 Homo sapiens CHEMBL4618344 single protein format
CHEMBL3696659 OBDepict H 3 C N H O N N O NH 2 F OH Ki = 0.4 nM 408.43 CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1cc(F)c(C#CC3(O)CCC3)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700329 OBDepict CH 3 N O HO N O N Cl F F O H 2 N Ki = 0.4 nM 436.8 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(Cl)c2C(F)(F)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL4211560 OBDepict CH 3 N O HO N O H 2 N Ki = 0.42 nM 335.36 CN1CC[C@@](O)(C#Cc2cccc(-c3cccc(C(N)=O)n3)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL3696705 OBDepict CH 3 N H O N N O NH 2 O OH O N H 3 C Ki = 0.5 nM 423.43 CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696672 OBDepict H 3 C N O HO F N N CH 3 O H 2 N Ki = 0.5 nM 408.43 CN1CC[C@](O)(C#Cc2cc3c(cc2F)C2CC(C2)c2c-3nc(C(N)=O)n2C)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3696553 OBDepict F N N OH CH 3 H 3 C O H 2 N HO H 3 C H 3 C Ki = 0.5 nM 397.45 CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1C(C)(C)O Homo sapiens CHEMBL3706045 assay format
CHEMBL4113023 OBDepict CH 3 O N HO H 3 C N N O H 2 N F F F Ki = 0.5 nM 456.42 Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2C2CC3C2)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696671 OBDepict H 3 C N O HO F N N CH 3 O H 2 N Ki = 0.5 nM 408.43 CN1CC[C@@](O)(C#Cc2cc3c(cc2F)C2CC(C2)c2c-3nc(C(N)=O)n2C)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700327 OBDepict CH 3 N O OH N O N O H 2 N Ki = 0.5 nM 406.44 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(CCC2)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL4109556 OBDepict CH 3 O N N HO H 3 C F N N CH 3 O H 2 N Ki = 0.5 nM 421.43 Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)c2c-3nc(C(N)=O)n2C)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696655 OBDepict F N N HO O NH 2 Ki = 0.53 nM 351.38 NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCC3)c(F)cc1C1CC2C1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696533 OBDepict CH 3 N O OH F O N S O NH 2 Ki = 0.53 nM 401.42 CN1CCC(O)(C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700314 OBDepict NH 2 O N N N H O O OH CH 3 CH 3 Ki = 0.54 nM 396.45 CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CNC3COC3)n1CCO2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700304 OBDepict F F O S N O H 2 N HO O N CH 3 Ki = 0.58 nM 433.44 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](F)(CF)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700303 OBDepict F F O S N O H 2 N HO O N CH 3 Ki = 0.58 nM 433.44 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](F)(CF)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL4214032 OBDepict CH 3 O N N O NH 2 OH O N H 3 C Ki = 0.59 nM 366.38 COc1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)n1 Homo sapiens CHEMBL4195748 cell-based format
CHEMBL4108562 OBDepict CH 3 O N HO H 3 C N N O H 2 N N N OH CH 3 H 3 C Ki = 0.59 nM 526.6 Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(-c4cnn(CC(C)(C)O)c4)n2C2CC3C2)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL4111063 OBDepict H 3 C O N HO CH 3 F O N S O H 2 N Ki = 0.6 nM 413.43 Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3692559 OBDepict H 3 C N H O N N O NH 2 OH CH 3 N O CH 3 Ki = 0.61 nM 445.48 CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@@](C)(O)c3cc(C)on3)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696524 OBDepict F N OH CH 3 H 3 C N H O H 2 N Ki = 0.68 nM 339.37 CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)c1[nH]c(C(N)=O)nc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696721 OBDepict H 3 C N O OH O N S H CH 3 O NH 2 Ki = 0.7 nM 397.46 C[C@@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21 Homo sapiens CHEMBL3706045 assay format
CHEMBL4112414 OBDepict CH 3 O N N HO H 3 C F N N CH 3 O H 2 N Ki = 0.7 nM 421.43 Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2C)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696722 OBDepict H 3 C N O OH O N S H CH 3 O NH 2 Ki = 0.7 nM 397.46 C[C@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696653 OBDepict H 3 C N H O N N O NH 2 O F HO Ki = 0.7 nM 398.39 CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC3(O)CCC3)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL4112497 OBDepict CH 3 O N HO H 3 C F N N O H 2 N N N OH CH 3 H 3 C Ki = 0.71 nM 544.59 Cc1cc([C@](C)(O)C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2-c2cnn(CC(C)(C)O)c2)no1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696703 OBDepict H 3 C N O OH O N N O NH 2 N CH 3 N Ki = 0.71 nM 510.55 Cc1nc2ccccc2n1Cc1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696706 OBDepict CH 3 N O HO O N N O H 2 N F F F Ki = 0.72 nM 434.37 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)(F)F)n2CCO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3696708 OBDepict CH 3 N O HO O N N O H 2 N N H O O Ki = 0.73 nM 493.52 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(=O)NC4CCOCC4)n2CCO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700216 OBDepict H 3 C N H O N N O H 2 N H F O HO O N CH 3 Ki = 0.76 nM 441.42 CNC(=O)c1c(C(N)=O)nn2c1[C@@H](F)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700213 OBDepict H 3 C N H O N N O H 2 N H F O HO O N CH 3 Ki = 0.76 nM 441.42 CNC(=O)c1c(C(N)=O)nn2c1[C@H](F)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700231 OBDepict H 3 C N H O N N O H 2 N H H 3 C O HO O N CH 3 Ki = 0.77 nM 437.46 CNC(=O)c1c(C(N)=O)nn2c1[C@@H](C)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3692557 OBDepict H 2 N O N N N N H N F N OH CH 3 CH 3 Ki = 0.77 nM 483.51 CC(C)(O)C#Cc1cc2c(cc1F)C1CC(C1)n1c-2nc(C(N)=O)c1-c1nc(-c2cccnc2)n[nH]1 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700233 OBDepict H 3 C N H O N N O H 2 N H H 3 C O HO O N CH 3 Ki = 0.77 nM 437.46 CNC(=O)c1c(C(N)=O)nn2c1[C@H](C)COc1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700288 OBDepict H 3 C N O HO N N O H 2 N F F Ki = 0.78 nM 426.42 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)F)n2C2CC3C2)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700201 OBDepict CH 3 N O OH F O N S F O NH 2 Ki = 0.8 nM 419.41 CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCC(F)c2sc(C(N)=O)nc2-3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700302 OBDepict CH 3 N O HO N O N Cl O H 2 N Ki = 0.82 nM 400.82 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(Cl)c2CCO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3696731 OBDepict CH 3 N O HO N O N O H 2 N Ki = 0.83 nM 392.42 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(CC2)CO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3696548 OBDepict H 3 C N H O N N O H 2 N O F HO CH 3 N Ki = 0.84 nM 449.44 CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#C[C@@](C)(O)c3ccccn3)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL4216004 OBDepict CH 3 N O HO N N N O H 2 N Ki = 0.86 nM 379.42 CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CCCC4)c2)C1=O Homo sapiens CHEMBL4195748 cell-based format
CHEMBL3696689 OBDepict CH 3 N O OH N N O H 2 N N H 3 C N Ki = 0.87 nM 520.59 Cc1nc2ccccc2n1Cc1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3692537 OBDepict F O N N OH N O NH 2 Ki = 0.9 nM 404.4 NC(=O)c1cn2c(n1)-c1cc(C#CC3(O)CCc4cccnc43)c(F)cc1OCC2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3700300 OBDepict CH 3 O S N O H 2 N OH H 3 C N Ki = 0.94 nM 405.48 CC1COc2ccc(C#C[C@@](C)(O)c3ccccn3)cc2-c2nc(C(N)=O)sc21 Homo sapiens CHEMBL3706045 assay format
CHEMBL3639991 OBDepict CH 3 N O HO N O N O H 2 N Ki = 0.94 nM 366.38 CN1CC[C@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700254 OBDepict H 3 C N O HO N S O H 2 N Ki = 0.94 nM 393.47 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C2CC3C2)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700297 OBDepict CH 3 N O HO N O N O H 2 N Ki = 0.94 nM 366.38 CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3700232 OBDepict O N H OH N O N F F O H 2 N Ki = 0.96 nM 388.33 NC(=O)c1cc2n(n1)-c1cc(C#C[C@]3(O)CCNC3=O)ccc1OCC2(F)F Homo sapiens CHEMBL3706045 assay format
CHEMBL3700273 OBDepict O HN OH O N S F F O NH 2 Ki = 0.97 nM 405.38 NC(=O)c1nc2c(s1)C(F)(F)COc1ccc(C#C[C@]3(O)CCNC3=O)cc1-2 Homo sapiens CHEMBL3706045 assay format
CHEMBL3696627 OBDepict H 3 C N O HO F N N O H 2 N HO H N H 3 C N Ki = 0.99 nM 504.52 CN1CC[C@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2[C@@H](O)c2ccnn2C)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3696617 OBDepict H 3 C N O HO F N N O H 2 N HO H N H 3 C N Ki = 0.99 nM 504.52 CN1CC[C@@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2[C@H](O)c2ccnn2C)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3696626 OBDepict H 3 C N O HO F N N O H 2 N HO H N H 3 C N Ki = 0.99 nM 504.52 CN1CC[C@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2[C@H](O)c2ccnn2C)C1=O Homo sapiens CHEMBL3706045 assay format
CHEMBL3696620 OBDepict H 3 C N O HO F N N O H 2 N HO H N H 3 C N Ki = 0.99 nM 504.52 CN1CC[C@@](O)(C#Cc2cc3c(cc2F)C2CC(C2)n2c-3nc(C(N)=O)c2[C@@H](O)c2ccnn2C)C1=O Homo sapiens CHEMBL3706045 assay format