Compile Data Set for Download or QSAR

Found 930 hits of ic50 for UniProtKB: P12821   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272062 ((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(3-...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCCCc1ccccc1 |r| Show InChI InChI=1S/C18H25NO3S2/c1-13(12-23)17(20)19-15(18(21)22)9-10-16(19)24-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,23H,5,8-12H2,1H3,(H,21,22)/t13-,15+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Inhibition of human serum ACE				Bioorg Med Chem 21: 7216-21 (2013) Article DOI: 10.1016/j.bmc.2013.08.032 BindingDB Entry DOI: 10.7270/Q21N843H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113877 BindingDB Entry DOI: 10.7270/Q2PK0M78
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50073120 ((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r| Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma US Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human ACE using Mca-BK2 as substrate preincubated for 10 mins followed by fluorogenic substrate addition and measured after...				ACS Med Chem Lett 10: 86-91 (2019) Article DOI: 10.1021/acsmedchemlett.8b00462 BindingDB Entry DOI: 10.7270/Q2D50R6V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from human blood serum				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50175518 ((3R,7S)-7-((R)-2-Mercapto-3-phenyl-propionylamino)...) Show SMILES OC(=O)[C@H]1CCCC2N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@H](S)Cc1ccccc1 Show InChI InChI=1S/C24H26N2O4S/c27-22(21(31)13-15-7-2-1-3-8-15)25-18-14-16-9-4-5-10-17(16)19-11-6-12-20(24(29)30)26(19)23(18)28/h1-5,7-10,18-21,31H,6,11-14H2,(H,25,27)(H,29,30)/t18-,19?,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Organon Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against angiotensin I converting enzyme				J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406389 Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N(CC(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C25H33N2O8P/c26-14-6-4-11-22(35-36(31,32)15-7-5-10-19-8-2-1-3-9-19)25(30)27(17-24(28)29)20-12-13-21-23(16-20)34-18-33-21/h1-3,8-9,12-13,16,22H,4-7,10-11,14-15,17-18,26H2,(H,28,29)(H,31,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.115	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM21642 ((2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolid...) Show SMILES C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
Dipartimento di Chimica Curated by ChEMBL					Assay Description Inhibition of human recombinant ACE by fluorimetry				Bioorg Med Chem Lett 19: 4715-9 (2009) Article DOI: 10.1016/j.bmcl.2009.06.064 BindingDB Entry DOI: 10.7270/Q2GH9JWT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406391 Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)c1ccccc1 Show InChI InChI=1S/C27H37N2O6P/c28-17-9-7-16-25(35-36(33,34)18-10-8-13-21-11-3-1-4-12-21)26(30)29-20-23(19-24(29)27(31)32)22-14-5-2-6-15-22/h1-6,11-12,14-15,23-25H,7-10,13,16-20,28H2,(H,31,32)(H,33,34)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.132	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272061 ((2S,5S)-1-((S)-3-mercapto-2-methylpropanoyl)-5-(ph...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCCc1ccccc1 |r| Show InChI InChI=1S/C17H23NO3S2/c1-12(11-22)16(19)18-14(17(20)21)7-8-15(18)23-10-9-13-5-3-2-4-6-13/h2-6,12,14-15,22H,7-11H2,1H3,(H,20,21)/t12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406942 (CHEMBL80665) Show SMILES C[C@H](NC(CCC(=O)Nc1ccc(I)cc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C19H24IN3O6/c1-11(17(25)23-10-2-3-15(23)19(28)29)21-14(18(26)27)8-9-16(24)22-13-6-4-12(20)5-7-13/h4-7,11,14-15,21H,2-3,8-10H2,1H3,(H,22,24)(H,26,27)(H,28,29)/t11-,14?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.229	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406908 (CHEMBL78629) Show SMILES OC(=O)[C@@H](CCC(=O)N1[C@@H](Cc2ccccc12)C(O)=O)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C31H31N3O8/c35-27(34-25-14-8-7-13-22(25)18-26(34)30(39)40)16-15-23(29(37)38)32-28(36)24(17-20-9-3-1-4-10-20)33-31(41)42-19-21-11-5-2-6-12-21/h1-14,23-24,26H,15-19H2,(H,32,36)(H,33,41)(H,37,38)(H,39,40)/t23-,24?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.251	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406375 (CHEMBL35682) Show SMILES COc1ccc(cc1OC)N(CC(O)=O)C(=O)[C@H](CCCCN)OP(O)(=O)CCCCc1ccccc1 Show InChI InChI=1S/C26H37N2O8P/c1-34-22-15-14-21(18-24(22)35-2)28(19-25(29)30)26(31)23(13-6-8-16-27)36-37(32,33)17-9-7-12-20-10-4-3-5-11-20/h3-5,10-11,14-15,18,23H,6-9,12-13,16-17,19,27H2,1-2H3,(H,29,30)(H,32,33)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.288	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406380 (CHEMBL284734) Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1[C@@H](Cc2ccccc12)C(O)=O Show InChI InChI=1S/C25H33N2O6P/c26-16-8-6-15-23(33-34(31,32)17-9-7-12-19-10-2-1-3-11-19)24(28)27-21-14-5-4-13-20(21)18-22(27)25(29)30/h1-5,10-11,13-14,22-23H,6-9,12,15-18,26H2,(H,29,30)(H,31,32)/t22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.295	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406392 Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N(CC(O)=O)C1CCCCC1 Show InChI InChI=1S/C24H39N2O6P/c25-17-9-7-16-22(24(29)26(19-23(27)28)21-14-5-2-6-15-21)32-33(30,31)18-10-8-13-20-11-3-1-4-12-20/h1,3-4,11-12,21-22H,2,5-10,13-19,25H2,(H,27,28)(H,30,31)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.295	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50084629 (1-(3-Benzoylsulfanyl-2-methyl-propionyl)-4-phenyls...) Show SMILES C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1 Show InChI InChI=1S/C22H23NO4S2/c1-15(14-28-22(27)16-8-4-2-5-9-16)20(24)23-13-18(12-19(23)21(25)26)29-17-10-6-3-7-11-17/h2-11,15,18-19H,12-14H2,1H3,(H,25,26)/t15-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin I converting enzyme (ACE)				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406394 Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)C1CCCCC1 Show InChI InChI=1S/C27H43N2O6P/c28-17-9-7-16-25(35-36(33,34)18-10-8-13-21-11-3-1-4-12-21)26(30)29-20-23(19-24(29)27(31)32)22-14-5-2-6-15-22/h1,3-4,11-12,22-25H,2,5-10,13-20,28H2,(H,31,32)(H,33,34)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50017125 (1-[6-Amino-2-(1-carboxy-3-phenyl-propylamino)-hexa...) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C23H33N3O5S2/c24-11-5-4-8-17(25-18(21(28)29)10-9-16-6-2-1-3-7-16)20(27)26-15-23(32-12-13-33-23)14-19(26)22(30)31/h1-3,6-7,17-19,25H,4-5,8-15,24H2,(H,28,29)(H,30,31)/t17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406369 (CHEMBL289022) Show SMILES CS[C@@H]1C[C@H](N(C1)C(=O)[C@H](CCCCN)OP(O)(=O)CCCCc1ccccc1)C(O)=O Show InChI InChI=1S/C22H35N2O6PS/c1-32-18-15-19(22(26)27)24(16-18)21(25)20(12-5-7-13-23)30-31(28,29)14-8-6-11-17-9-3-2-4-10-17/h2-4,9-10,18-20H,5-8,11-16,23H2,1H3,(H,26,27)(H,28,29)/t18-,19+,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.525	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406370 (CHEMBL34832) Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc1ccccc1 Show InChI InChI=1S/C27H37N2O6PS/c28-17-9-7-16-25(35-36(33,34)18-10-8-13-21-11-3-1-4-12-21)26(30)29-20-23(19-24(29)27(31)32)37-22-14-5-2-6-15-22/h1-6,11-12,14-15,23-25H,7-10,13,16-20,28H2,(H,31,32)(H,33,34)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.525	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50121930 (6-(1-Carboxy-3-phenyl-propylamino)-5-oxo-octahydro...) Show SMILES OC(=O)C(CCc1ccccc1)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(O)=O Show InChI InChI=1S/C19H24N2O5S/c22-17-13(7-4-8-16-21(17)15(11-27-16)19(25)26)20-14(18(23)24)10-9-12-5-2-1-3-6-12/h1-3,5-6,13-16,20H,4,7-11H2,(H,23,24)(H,25,26)/t13-,14?,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom				J Med Chem 45: 5609-16 (2002) BindingDB Entry DOI: 10.7270/Q270825W
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50121930 (6-(1-Carboxy-3-phenyl-propylamino)-5-oxo-octahydro...) Show SMILES OC(=O)C(CCc1ccccc1)N[C@H]1CCC[C@H]2SC[C@H](N2C1=O)C(O)=O Show InChI InChI=1S/C19H24N2O5S/c22-17-13(7-4-8-16-21(17)15(11-27-16)19(25)26)20-14(18(23)24)10-9-12-5-2-1-3-6-12/h1-3,5-6,13-16,20H,4,7-11H2,(H,23,24)(H,25,26)/t13-,14?,15-,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.603	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406384 (CHEMBL34650) Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C23H35N2O6PS2/c24-12-6-4-11-20(31-32(29,30)13-7-5-10-18-8-2-1-3-9-18)21(26)25-17-23(33-14-15-34-23)16-19(25)22(27)28/h1-3,8-9,19-20H,4-7,10-17,24H2,(H,27,28)(H,29,30)/t19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.631	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50520683 (CHEMBL4476621) Show SMILES Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C14H11Cl2N3O2S/c15-10-6-5-8(7-11(10)16)17-14(22)19-18-13(21)9-3-1-2-4-12(9)20/h1-7,20H,(H,18,21)(H2,17,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain (UCLouvain) Curated by ChEMBL					Assay Description Inhibition of human recombinant ACE using Abz-FRK(Dnp)-P-OH as substrate after 30 mins by fluorimetric analysis				Eur J Med Chem 159: 324-338 (2018) Article DOI: 10.1016/j.ejmech.2018.09.067 BindingDB Entry DOI: 10.7270/Q2VM4GND
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406378 (CHEMBL431707) Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@@H](C[C@H]1C(O)=O)Sc1ccccc1 Show InChI InChI=1S/C27H37N2O6PS/c28-17-9-7-16-25(35-36(33,34)18-10-8-13-21-11-3-1-4-12-21)26(30)29-20-23(19-24(29)27(31)32)37-22-14-5-2-6-15-22/h1-6,11-12,14-15,23-25H,7-10,13,16-20,28H2,(H,31,32)(H,33,34)/t23-,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.776	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406942 (CHEMBL80665) Show SMILES C[C@H](NC(CCC(=O)Nc1ccc(I)cc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C19H24IN3O6/c1-11(17(25)23-10-2-3-15(23)19(28)29)21-14(18(26)27)8-9-16(24)22-13-6-4-12(20)5-7-13/h4-7,11,14-15,21H,2-3,8-10H2,1H3,(H,22,24)(H,26,27)(H,28,29)/t11-,14?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.794	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of angiotensin I converting enzyme in silico				J Med Chem 40: 3161-72 (1997) Article DOI: 10.1021/jm970211n BindingDB Entry DOI: 10.7270/Q2MG7QPB
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50017122 (7-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1...) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CC2(C[C@H]1C(O)=O)SCCS2 Show InChI InChI=1S/C20H26N2O5S2/c1-13(21-15(18(24)25)8-7-14-5-3-2-4-6-14)17(23)22-12-20(28-9-10-29-20)11-16(22)19(26)27/h2-6,13,15-16,21H,7-12H2,1H3,(H,24,25)(H,26,27)/t13-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Corporation Curated by ChEMBL					Assay Description Compound tested in vitro for inhibition of Angiotensin I converting enzyme				J Med Chem 32: 1600-6 (1989) BindingDB Entry DOI: 10.7270/Q2M61KVW
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406372 (CHEMBL33025) Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(O)=O Show InChI InChI=1S/C21H33N2O7P/c22-12-6-4-11-19(20(25)23-15-17(24)14-18(23)21(26)27)30-31(28,29)13-7-5-10-16-8-2-1-3-9-16/h1-3,8-9,17-19,24H,4-7,10-15,22H2,(H,26,27)(H,28,29)/t17-,18+,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.871	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406373 (CHEMBL284843) Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N1C[C@@H](Cc2ccccc2)C[C@H]1C(O)=O Show InChI InChI=1S/C28H39N2O6P/c29-17-9-7-16-26(36-37(34,35)18-10-8-13-22-11-3-1-4-12-22)27(31)30-21-24(20-25(30)28(32)33)19-23-14-5-2-6-15-23/h1-6,11-12,14-15,24-26H,7-10,13,16-21,29H2,(H,32,33)(H,34,35)/t24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.891	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50272145 ((2S,5S)-1-((S)-3-Mercapto-2-methyl-propionyl)-5-(3...) Show SMILES C[C@H](CS)C(=O)N1[C@H](CC[C@H]1C(O)=O)SCc1cccc(C)c1 |r| Show InChI InChI=1S/C17H23NO3S2/c1-11-4-3-5-13(8-11)10-23-15-7-6-14(17(20)21)18(15)16(19)12(2)9-22/h3-5,8,12,14-15,22H,6-7,9-10H2,1-2H3,(H,20,21)/t12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Santen Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Bioorg Med Chem Lett 18: 4529-32 (2008) Article DOI: 10.1016/j.bmcl.2008.07.043 BindingDB Entry DOI: 10.7270/Q2PR7VSQ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50369775 (Mavik | RU-44570 | TRANDOLAPRIL) Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O Show InChI InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin I converting enzyme (ACE)				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50073120 ((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r| Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human fully glycosylated ACE C-terminal domain expressed in CHO cells using Cbz-Phe-His-Leu as substrate preincubated for 15 mins follo...				J Med Chem 61: 10141-10154 (2018) Article DOI: 10.1021/acs.jmedchem.8b01309 BindingDB Entry DOI: 10.7270/Q2862K4R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50146428 ((S)-1-((1R,5S)-5-Benzoylamino-2-methyl-4-oxo-6-phe...) Show SMILES C[C@H](CC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C25H28N2O5/c1-17(24(30)27-14-8-13-21(27)25(31)32)15-22(28)20(16-18-9-4-2-5-10-18)26-23(29)19-11-6-3-7-12-19/h2-7,9-12,17,20-21H,8,13-16H2,1H3,(H,26,29)(H,31,32)/t17-,20+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of ACE				J Med Chem 54: 2529-91 (2011) Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406911 (CHEMBL310750) Show SMILES OC(=O)CCn1c(=O)n2CC=C[C@@H](C(O)=O)n2c1=O |c:10| Show InChI InChI=1S/C10H11N3O6/c14-7(15)3-5-11-9(18)12-4-1-2-6(8(16)17)13(12)10(11)19/h1-2,6H,3-5H2,(H,14,15)(H,16,17)/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50130714 (1-(3-Mercapto-propionyl)-6-methyl-piperidine-2-car...) Show SMILES CC1CCCC(N1C(=O)CCS)C(O)=O Show InChI InChI=1S/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomedical Chemistry of Russian Academy of Medical Sciences Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme (ACE) from bovine kidney				J Med Chem 46: 3326-32 (2003) Article DOI: 10.1021/jm021089h BindingDB Entry DOI: 10.7270/Q2K07512
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50084622 ((2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoylox...) Show SMILES CCC(=O)OC(OP(=O)(CCCc1ccccc1)CC(=O)N1C[C@@H](C[C@H]1C(O)=O)C1CCCCC1)C(C)C Show InChI InChI=1S/C29H44NO7P/c1-4-27(32)36-29(21(2)3)37-38(35,17-11-14-22-12-7-5-8-13-22)20-26(31)30-19-24(18-25(30)28(33)34)23-15-9-6-10-16-23/h5,7-8,12-13,21,23-25,29H,4,6,9-11,14-20H2,1-3H3,(H,33,34)/t24-,25+,29?,38?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin I converting enzyme (ACE)				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406387 Show SMILES NCCCC[C@H](OP(O)(=O)CCCCc1ccccc1)C(=O)N(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C24H33N2O6P/c25-17-9-7-16-22(24(29)26(19-23(27)28)21-14-5-2-6-15-21)32-33(30,31)18-10-8-13-20-11-3-1-4-12-20/h1-6,11-12,14-15,22H,7-10,13,16-19,25H2,(H,27,28)(H,30,31)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50406909 (CHEMBL80779) Show SMILES C[C@H](NC(CCc1cccc2ccccc12)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C22H26N2O5/c1-14(20(25)24-13-5-10-19(24)22(28)29)23-18(21(26)27)12-11-16-8-4-7-15-6-2-3-9-17(15)16/h2-4,6-9,14,18-19,23H,5,10-13H2,1H3,(H,26,27)(H,28,29)/t14-,18?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50367254 (ENALAPRILAT) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Rorer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme in Hog plasma				J Med Chem 33: 1606-15 (1990) BindingDB Entry DOI: 10.7270/Q2CF9QPK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367254 (ENALAPRILAT) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50017129 ((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...) Show SMILES CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against angiotensin converting enzyme (ACE)				Bioorg Med Chem Lett 4: 2673-2676 (1994) Article DOI: 10.1016/S0960-894X(01)80694-6 BindingDB Entry DOI: 10.7270/Q2X34XXT
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom				J Med Chem 45: 5609-16 (2002) BindingDB Entry DOI: 10.7270/Q270825W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367254 (ENALAPRILAT) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme (ACE) in Bothrops jararaca venom				J Med Chem 45: 5609-16 (2002) BindingDB Entry DOI: 10.7270/Q270825W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				J Med Chem 36: 2051-8 (1993) BindingDB Entry DOI: 10.7270/Q2NP2524
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367254 (ENALAPRILAT) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				J Med Chem 36: 2051-8 (1993) BindingDB Entry DOI: 10.7270/Q2NP2524
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367254 (ENALAPRILAT) Show SMILES C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory concentration against Angiotensin I converting enzyme				J Med Chem 29: 251-60 (1986) BindingDB Entry DOI: 10.7270/Q2J67HH7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50367879 (LISINOPRIL) Show SMILES NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C21H31N3O5/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29)/t16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50021129 (1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-p...) Show SMILES C[C@H](NC(CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C18H24N2O5/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25)/t12-,14?,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin converting enzyme (ACE)				J Med Chem 36: 2390-403 (1993) BindingDB Entry DOI: 10.7270/Q2Z320V9
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50027142 (1-{5-[(Furan-2-carbonyl)-amino]-4-oxo-6-phenyl-hex...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccccc1)NC(=O)c1ccco1 Show InChI InChI=1S/C22H24N2O6/c25-18(10-11-20(26)24-12-4-8-17(24)22(28)29)16(14-15-6-2-1-3-7-15)23-21(27)19-9-5-13-30-19/h1-3,5-7,9,13,16-17H,4,8,10-12,14H2,(H,23,27)(H,28,29)/t16?,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%				J Med Chem 24: 964-9 (1982) BindingDB Entry DOI: 10.7270/Q2959J4Z
					More data for this Ligand-Target Pair

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