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P42892 | ECE1_HUMAN | Endothelin-converting enzyme 1 (ECE1)

3D structures mapped by conservation among orthologs

[ Domain: "Metalloproteases ("zincins") catalytic domain" // Peptidase_M13 ]

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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
CHEMBL66284 OBDepict OH HN O N H O CH 3 CH 3 O OH IC50 = 0.01 nM 232.24 CC(C)C(C(=O)NO)C(=O)NCCC(=O)O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL66967 OBDepict OH N H O NH O H 3 C CH 3 O HO N H IC50 = 0.2 nM 347.37 CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL303159 OBDepict OH N H O NH O H 3 C CH 3 O HO N H IC50 = 0.25 nM 361.4 CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL63317 OBDepict OH N H O NH O H 3 C CH 3 O H 2 N N H IC50 = 1.2 nM 346.39 CC(C)C(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL147964 OBDepict H N N N N N H H P O OH OH O IC50 = 2.6 nM 527.52 O=P(O)(O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc2c(c1)oc1ccccc12)c1nnn[nH]1 Homo sapiens CHEMBL843957 single protein format
CHEMBL304939 OBDepict OH HN O N H O CH 3 CH 3 O HO O NH 2 IC50 = 3.0 nM 275.26 CC(C)C(C(=O)NO)C(=O)NC(CC(N)=O)C(=O)O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL303892 OBDepict OH N H O NH O H 3 C CH 3 O H 2 N N H IC50 = 4.8 nM 360.41 CC(C)CC(C(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL148056 OBDepict H N N N N N H P O OH HO O IC50 = 6.0 nM 373.31 O=P(O)(O)CNC(Cc1ccc2c(c1)oc1ccccc12)c1nnn[nH]1 Homo sapiens CHEMBL843957 single protein format
CHEMBL147157 OBDepict O N H N H H H P O OH O HO OH O O IC50 = 6.4 nM 586.54 O=C(O)[C@H](Cc1ccc2c(c1)oc1ccccc12)NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc12)NCP(=O)(O)O Homo sapiens CHEMBL843957 single protein format
CHEMBL67000 OBDepict OH HN O N H O CH 3 CH 3 O HO IC50 = 6.8 nM 218.21 CC(C)C(C(=O)NO)C(=O)NCC(=O)O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL191879 OBDepict CH 3 S O H N H O O O O O F F F IC50 = 6.9 nM 497.49 CC(=O)S[C@@H]1C[C@@H](COCc2cc(F)c(F)cc2F)N(C(=O)Oc2cccc3c2OCCO3)C1 Homo sapiens CHEMBL827985 single protein format
CHEMBL10247 OBDepict SH N H O O OH IC50 = 8.0 nM 253.32 O=C(O)CNC(=O)C(CS)Cc1ccccc1 Homo sapiens CHEMBL679843 tissue-based format
CHEMBL85320 OBDepict OH NH O H N H O CH 3 H O OH IC50 = 8.0 nM 294.31 C[C@H](NC(=O)[C@@H](CC(=O)NO)Cc1ccccc1)C(=O)O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL147847 OBDepict CH 3 H 3 C NH H N H O O CH 3 H N H H O OH P O HO OH F F IC50 = 8.0 nM 503.44 CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)(O)O)C(=O)N[C@@H](C)C(=O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL317472 OBDepict CH 3 H 3 C HS H NH O N H O H O OH N S IC50 = 9.5 nM 489.66 CC(C)C[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3cccs3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL102527 OBDepict CH 3 CH 3 HS H N H O HN O O OH N S IC50 = 9.8 nM 489.66 CC(C)C[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccsc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL60439 OBDepict HS H H N H O H O HO O CH 3 N H Ki = 10.0 nM 438.55 COc1ccc2c(c1)CC[C@@H]2[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL673750 single protein format
CHEMBL194651 OBDepict CH 3 N N N H SH N H F F IC50 = 10.4 nM 378.49 CCCc1cnc(N2C[C@H](S)CC2CNCc2cc(F)ccc2F)nc1 Homo sapiens CHEMBL827985 single protein format
CHEMBL285619 OBDepict H N N N N N H H P O OH OH Ki = 10.8 nM 513.54 O=P(O)(O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 Homo sapiens CHEMBL678351 single protein format
CHEMBL2372437 OBDepict OH HN O H HN O CH 3 H 3 C CH 3 H N H O O H 2 N IC50 = 11.0 nM 302.33 CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](C)C(=O)NCC(N)=O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL292748 OBDepict CH 3 HS H HN O NH O H O HO IC50 = 11.0 nM 468.62 CCC[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL293024 OBDepict CH 3 O HS H HN O NH O H O HO IC50 = 11.0 nM 470.59 COC[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1 Homo sapiens CHEMBL675441 single protein format
CHEMBL367315 OBDepict O O N O IC50 = 12.0 nM 231.25 O=c1cc(N2CCOCC2)oc2ccccc12 Homo sapiens CHEMBL827985 single protein format
CHEMBL37052 OBDepict F NH H N H O P H O OH HO O OH IC50 = 13.0 nM 524.49 O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL357226 OBDepict H 3 C CH 3 HN O HO O N H H P O HO OH O IC50 = 13.0 nM 462.44 CC(C)CC(NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc12)NCP(=O)(O)O)C(=O)O Homo sapiens CHEMBL843957 single protein format
CHEMBL39828 OBDepict O N H NH H H P O HO O OH HO F F IC50 = 14.0 nM 472.43 O=C(O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL192441 OBDepict H 3 C O CH 3 N O H SH HN F F IC50 = 16.0 nM 344.43 CC(C)OC(=O)N1C[C@H](S)CC1CNCc1cc(F)ccc1F Homo sapiens CHEMBL827985 single protein format
CHEMBL68128 OBDepict HO N H O HN O CH 3 H 3 C O OH N H IC50 = 17.0 nM 361.4 CC(C)C(CC(=O)NO)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL679843 tissue-based format
CHEMBL10251 OBDepict H N N N N N H H P O OH OH IC50 = 17.0 nM 499.51 O=P(O)(O)C(Cc1cccc2ccccc12)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 Homo sapiens CHEMBL675440 single protein format
CHEMBL285619 OBDepict H N N N N N H H P O OH OH IC50 = 17.0 nM 513.54 O=P(O)(O)C(CCc1cccc2ccccc12)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 Homo sapiens CHEMBL679847 cell-based format
CHEMBL301646 OBDepict SH H H N H O H O HO Br N H Ki = 18.0 nM 487.42 O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2cc(Br)ccc21 Homo sapiens CHEMBL673750 single protein format
CHEMBL61269 OBDepict H HN O HO O N H O SH H CH 3 CH 3 IC50 = 19.0 nM 482.65 CC(C)C[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1 Homo sapiens CHEMBL675441 single protein format
CHEMBL342962 OBDepict CH 3 O O H 3 C O CH 3 P N H O OH HO H O HO O IC50 = 22.0 nM 543.51 COc1cc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)O)P(=O)(O)O)cc(OC)c1OC Homo sapiens CHEMBL843957 single protein format
CHEMBL146936 OBDepict HO O N H H P O OH OH O IC50 = 22.0 nM 349.28 O=C(O)[C@H](Cc1ccc2c(c1)oc1ccccc12)NCP(=O)(O)O Homo sapiens CHEMBL843957 single protein format
CHEMBL305089 OBDepict SH N H O O HO O CH 3 N H Ki = 22.0 nM 438.55 COc1ccc2c(c1)CCC2C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL673750 single protein format
CHEMBL413724 OBDepict HO O HN O HN H P O OH HO O IC50 = 23.0 nM 496.46 O=C(O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)oc1ccccc12)NCP(=O)(O)O Homo sapiens CHEMBL843957 single protein format
CHEMBL319463 OBDepict HO O N H O N H N O HS H S IC50 = 23.0 nM 529.73 O=C(O)C(Cc1ccc(-c2ccsc2)nc1)NC(=O)C1(NC(=O)[C@@H](S)CC2CCCCC2)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL268761 OBDepict H N N N N N H H P O OH OH N IC50 = 23.0 nM 500.5 O=P(O)(O)C(Cc1cccc2cccnc12)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 Homo sapiens CHEMBL675440 single protein format
CHEMBL357251 OBDepict OH O NH H P O OH HO O IC50 = 24.0 nM 503.49 O=C(O)[C@H](Cc1ccc2c(c1)oc1ccccc12)NC(CCc1cccc2ccccc12)P(=O)(O)O Homo sapiens CHEMBL843957 single protein format
CHEMBL421021 OBDepict H 3 C SH H N H O HN O O OH N S IC50 = 24.0 nM 489.66 CCCC[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccsc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL39887 OBDepict F NH H N H O P H O OH HO O HO IC50 = 25.0 nM 498.45 O=C(O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL285490 OBDepict HS H H N H O H O OH N H Ki = 26.0 nM 408.52 O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@H]1CCc2ccccc21 Homo sapiens CHEMBL678350 cell-based format
CHEMBL102815 OBDepict CH 3 HS H N H O HN O O OH N S IC50 = 27.0 nM 475.64 CCC[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccsc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL40168 OBDepict O N H NH H P O OH HO F F IC50 = 28.0 nM 498.47 O=C(NCCc1ccc(-c2ccccc2)cc1)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL39777 OBDepict F NH H N H O P H O OH HO O OH F IC50 = 28.0 nM 490.4 O=C(O)[C@H](CC#Cc1ccccc1F)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL61713 OBDepict SH H H N H O H O HO Br N H Ki = 28.0 nM 487.42 O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@H]1CCc2cc(Br)ccc21 Homo sapiens CHEMBL673750 single protein format
CHEMBL357441 OBDepict CH 3 O O CH 3 P HN O HO OH H O OH O IC50 = 29.0 nM 513.48 COc1ccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)O)P(=O)(O)O)cc1OC Homo sapiens CHEMBL843957 single protein format
CHEMBL147163 OBDepict H N N N N N H P O OH HO O IC50 = 30.0 nM 385.32 O=C1c2ccccc2-c2ccc(CC(NCP(=O)(O)O)c3nnn[nH]3)cc21 Homo sapiens CHEMBL843957 single protein format
CHEMBL103327 OBDepict HO O N H O N H N O SH H H 3 C CH 3 S IC50 = 30.0 nM 475.64 CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccsc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL302837 OBDepict SH N H O O OH Br N H Ki = 31.0 nM 487.42 O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(Br)ccc21 Homo sapiens CHEMBL673750 single protein format
CHEMBL39714 OBDepict F NH H N H O P O OH HO IC50 = 33.0 nM 480.48 O=C(NCCc1ccc(-c2ccccc2)cc1)[C@H](CC#Cc1ccccc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL290868 OBDepict F F NH H N H O P O OH HO IC50 = 34.0 nM 472.43 O=C(NCCc1cccc2ccccc12)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL61016 OBDepict SH N H O O HO S CH 3 N H Ki = 35.0 nM 454.62 CSc1ccc2c(c1)CCC2C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL673750 single protein format
CHEMBL419170 OBDepict HO O N H O N H N O SH H H 3 C CH 3 O IC50 = 39.0 nM 459.57 CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccoc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL358774 OBDepict H 3 C O O CH 3 O CH 3 P N H O HO OH H O OH O IC50 = 40.0 nM 543.51 COc1cc(OC)c(OC)cc1CCC(N[C@@H](Cc1ccc2c(c1)oc1ccccc12)C(=O)O)P(=O)(O)O Homo sapiens CHEMBL843957 single protein format
CHEMBL61410 OBDepict H 3 C S HS H HN O NH O H O HO IC50 = 40.0 nM 500.69 CSCC[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1 Homo sapiens CHEMBL675441 single protein format
CHEMBL421586 OBDepict HO O N H O NH N O HS H CH 3 CH 3 N IC50 = 41.0 nM 470.6 CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3cccnc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL416234 OBDepict Br HN O NH H P O OH HO F F IC50 = 43.0 nM 501.26 O=C(NCCc1ccc(Br)cc1)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL105054 OBDepict HO O N H O N H N O SH H O H 3 C CH 3 IC50 = 43.0 nM 459.57 CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccco3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL415967 OBDepict H N N N N N H H P O OH OH IC50 = 45.0 nM 499.51 O=P(O)(O)C(Cc1ccc2ccccc2c1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 Homo sapiens CHEMBL675440 single protein format
CHEMBL304218 OBDepict H 3 C O N H O HS O HO N H Ki = 47.0 nM 452.58 CCOc1ccc2c(c1)CCC2C(CS)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL673750 single protein format
CHEMBL320400 OBDepict HO O N H O N H N O SH H S H 3 C CH 3 IC50 = 49.0 nM 475.64 CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3cccs3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL193490 OBDepict O N O H H S O O O O F F F IC50 = 49.7 nM 559.56 O=C(S[C@@H]1C[C@@H](COCc2cc(F)c(F)cc2F)N(C(=O)Oc2cccc3c2OCCO3)C1)c1ccccc1 Homo sapiens CHEMBL827985 single protein format
CHEMBL289150 OBDepict CH 3 H 3 C N H H O HO O HN H P O OH HO F F IC50 = 51.0 nM 432.36 CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)(O)O)C(=O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL37078 OBDepict O N H NH H P O OH HO F F IC50 = 53.0 nM 472.43 O=C(NCCc1ccc2ccccc2c1)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL292733 OBDepict H 3 C HS H HN O NH O H O HO IC50 = 54.0 nM 482.65 CCCC[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1 Homo sapiens CHEMBL675441 single protein format
CHEMBL103378 OBDepict H 3 C S SH H N H O HN O O OH N S IC50 = 55.0 nM 507.7 CSCC[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccsc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL104617 OBDepict H 3 C SH H N H O HN O O OH N S IC50 = 56.0 nM 489.66 CCCC[C@@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccsc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL37542 OBDepict F N H H NH O P H O OH OH O OH IC50 = 56.0 nM 448.39 O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL425383 OBDepict O N H N N S S CH 3 H HS O O O O CH 3 IC50 = 61.3 nM 519.67 Cc1ccc(S(=O)(=O)N(C)NC(=O)C2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)cc1 Homo sapiens CHEMBL827985 single protein format
CHEMBL103966 OBDepict OH O HN O N H N O SH H H 3 C CH 3 H 2 N IC50 = 64.0 nM 484.62 CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3cccc(N)c3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL148232 OBDepict CH 3 H 3 C P HN O OH HO H O OH O IC50 = 65.0 nM 433.44 CC(C)CCCC(N[C@@H](Cc1ccc2c(c1)oc1ccccc12)C(=O)O)P(=O)(O)O Homo sapiens CHEMBL843957 single protein format
CHEMBL290304 OBDepict H 2 N N H N H O HN H P O OH HO F IC50 = 76.0 nM 458.43 NCCc1c(NC(=O)[C@H](CC#Cc2ccccc2F)NCP(=O)(O)O)[nH]c2ccccc12 Homo sapiens CHEMBL679847 cell-based format
CHEMBL64081 OBDepict H HN O HO O N H O SH H H 3 C CH 3 IC50 = 77.0 nM 468.62 CC(C)[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL104814 OBDepict HO O N H O NH N O HS H CH 3 CH 3 IC50 = 77.0 nM 469.61 CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccccc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL303302 OBDepict HS N H O O O OH H 3 C N H Ki = 79.0 nM 438.55 COc1ccc2c(c1)C(C(CS)C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)O)CC2 Homo sapiens CHEMBL673750 single protein format
CHEMBL177000 OBDepict H 3 C O O N H O N CH 3 O N S H HS O O IC50 = 80.8 nM 541.65 COC(=O)c1ccccc1NC(=O)CN(C)C(=O)C1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1 Homo sapiens CHEMBL827985 single protein format
CHEMBL102795 OBDepict CH 3 HS H N H O HN O O OH N S IC50 = 82.0 nM 475.64 CCC[C@@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3ccsc3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL446393 OBDepict F F NH H N H O P H O OH HO O N O OH IC50 = 82.0 nM 535.44 O=C(O)CN1C(=O)[C@@H](NC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(=O)(O)O)CCc2ccccc21 Homo sapiens CHEMBL679847 cell-based format
CHEMBL293685 OBDepict SH H H N H O H O HO Br N H Ki = 90.0 nM 487.42 O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)[C@@H]1CCc2cc(Br)ccc21 Homo sapiens CHEMBL673750 single protein format
CHEMBL262267 OBDepict SH N H O O OH HO N H Ki = 90.0 nM 424.52 O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(O)ccc21 Homo sapiens CHEMBL673750 single protein format
CHEMBL268473 OBDepict H N N N N N H H P O OH OH O O IC50 = 93.0 nM 493.46 O=P(O)(O)C(Cc1ccc2c(c1)OCO2)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 Homo sapiens CHEMBL675440 single protein format
CHEMBL145943 OBDepict H 2 N P HN O OH OH H O OH O IC50 = 97.0 nM 420.4 NCCCCC(N[C@@H](Cc1ccc2c(c1)oc1ccccc12)C(=O)O)P(=O)(O)O Homo sapiens CHEMBL843957 single protein format
CHEMBL2115491 OBDepict CH 3 CH 3 H HS H NH O HN O H O OH IC50 = 97.0 nM 482.65 CC[C@@H](C)[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1 Homo sapiens CHEMBL675441 single protein format
CHEMBL320471 OBDepict OH O HN O N H N O SH H H 3 C CH 3 + N O _ O IC50 = 98.0 nM 514.6 CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3cccc([N+](=O)[O-])c3)nc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL38075 OBDepict SH H CH 3 H N H O H O HO N H Ki = 100.0 nM 396.51 C[C@H](c1ccccc1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL678350 cell-based format
CHEMBL35643 OBDepict SH N H O O OH N H Ki = 100.0 nM 408.52 O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2ccccc21 Homo sapiens CHEMBL678350 cell-based format
CHEMBL304629 OBDepict HS H H N H O H O HO O CH 3 N H Ki = 100.0 nM 438.55 COc1ccc2c(c1)CC[C@@H]2[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL673750 single protein format
CHEMBL304209 OBDepict SH H H N H O H O HO Br N H Ki = 110.0 nM 487.42 O=C(O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CS)[C@@H]1CCc2cc(Br)ccc21 Homo sapiens CHEMBL673750 single protein format
CHEMBL288911 OBDepict SH H CH 3 H N H O H O HO N H Ki = 110.0 nM 472.61 C[C@H](c1ccc(-c2ccccc2)cc1)[C@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O Homo sapiens CHEMBL678350 cell-based format
CHEMBL417507 OBDepict O N H NH H P O OH HO F Br IC50 = 110.0 nM 483.27 O=C(NCCc1ccc(Br)cc1)[C@H](CC#Cc1ccccc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL423751 OBDepict CH 3 O O CH 3 P HN O HO OH H O OH O IC50 = 110.0 nM 513.48 COc1cccc(CCC(N[C@@H](Cc2ccc3c(c2)oc2ccccc23)C(=O)O)P(=O)(O)O)c1OC Homo sapiens CHEMBL843957 single protein format
CHEMBL276690 OBDepict H N N N N N H H P O OH OH O O IC50 = 110.0 nM 493.46 O=P(O)(O)C(Cc1cccc2c1OCO2)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 Homo sapiens CHEMBL675440 single protein format
CHEMBL289638 OBDepict O N H NH H P O OH HO F F IC50 = 110.0 nM 422.37 O=C(NCCc1ccccc1)[C@H](CC#Cc1ccc(F)cc1F)NCP(=O)(O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL36382 OBDepict O N H NH H H P O OH CH 3 CH 3 O OH HO F IC50 = 110.0 nM 400.34 CC(C)[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)(O)O)C(=O)O Homo sapiens CHEMBL679847 cell-based format
CHEMBL35995 OBDepict H 2 N N H N H O HN H P O OH HO F F IC50 = 111.0 nM 476.42 NCCc1c(NC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(=O)(O)O)[nH]c2ccccc12 Homo sapiens CHEMBL679847 cell-based format
CHEMBL3351079 OBDepict CH 3 CH 3 H HS H NH O HN O H O OH IC50 = 120.0 nM 482.65 CC[C@H](C)[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)O)CCCC1 Homo sapiens CHEMBL675441 single protein format
CHEMBL196108 OBDepict O N H H 3 C N NH O F IC50 = 120.0 nM 483.59 CC1(CC(=O)Nc2ccc3c(c2)cc(C(=O)Nc2ccccc2)n3Cc2ccccc2F)CCCC1 Homo sapiens CHEMBL881481 single protein format
CHEMBL319708 OBDepict H HS N H O CH 3 CH 3 N H O O HO N N IC50 = 120.0 nM 470.6 CC(C)[C@H](S)C(=O)NC1(C(=O)NC(Cc2ccc(-c3cncnc3)cc2)C(=O)O)CCCC1 Homo sapiens CHEMBL679844 single protein format
CHEMBL290256 OBDepict CH 3 H 3 C N H H O HO O NH H P O OH HO F IC50 = 120.0 nM 414.37 CC(C)C[C@H](NC(=O)[C@H](CC#Cc1ccccc1F)NCP(=O)(O)O)C(=O)O Homo sapiens CHEMBL679847 cell-based format