Compile Data Set for Download or QSAR

Found 159 hits Enz. Inhib. hit(s) with Target = 'Angiotensin-converting enzyme' AND taxid = 10090   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471710 (US10829438, Example 1L | US11174219, Example 1L) Show SMILES CC(C)[C@@H](N)C(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H32ClN5O7/c1-17(2)27(32)30(41)42-16-43-36-25-14-21(10-11-24(25)34-35-36)28(38)33-23(15-26(37)29(39)40)12-18-6-8-19(9-7-18)20-4-3-5-22(31)13-20/h3-11,13-14,17,23,26-27,37H,12,15-16,32H2,1-2H3,(H,33,38)(H,39,40)/t23-,26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471714 (US10829438, Example 6A | US11174219, Example 6A) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(no1)-c1ccccc1F)C(O)=O |r| Show InChI InChI=1S/C27H22ClFN2O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(32)27(34)35)30-26(33)25-15-23(31-36-25)21-6-1-2-7-22(21)29/h1-11,13,15,20,24,32H,12,14H2,(H,30,33)(H,34,35)/t20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471712 (US10829438, Example 4B | US11174219, Example 4B) Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc([nH]n1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471713 (US10829438, Example 5B | US11174219, Example 5B) Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc([nH]n1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471705 (US10829438, Example 1G | US11174219, Example 1G) Show SMILES CC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H25ClN4O7/c1-16(33)38-15-39-32-24-13-20(9-10-23(24)30-31-32)26(35)29-22(14-25(34)27(36)37)11-17-5-7-18(8-6-17)19-3-2-4-21(28)12-19/h2-10,12-13,22,25,34H,11,14-15H2,1H3,(H,29,35)(H,36,37)/t22-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471710 (US10829438, Example 1L | US11174219, Example 1L) Show SMILES CC(C)[C@@H](N)C(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C30H32ClN5O7/c1-17(2)27(32)30(41)42-16-43-36-25-14-21(10-11-24(25)34-35-36)28(38)33-23(15-26(37)29(39)40)12-18-6-8-19(9-7-18)20-4-3-5-22(31)13-20/h3-11,13-14,17,23,26-27,37H,12,15-16,32H2,1-2H3,(H,33,38)(H,39,40)/t23-,26-,27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471712 (US10829438, Example 4B | US11174219, Example 4B) Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cc(Cl)ccc1F)NC(=O)c1cc([nH]n1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471713 (US10829438, Example 5B | US11174219, Example 5B) Show SMILES CCOC(=O)[C@H](O)C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc([nH]n1)C(C)=O |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471705 (US10829438, Example 1G | US11174219, Example 1G) Show SMILES CC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C27H25ClN4O7/c1-16(33)38-15-39-32-24-13-20(9-10-23(24)30-31-32)26(35)29-22(14-25(34)27(36)37)11-17-5-7-18(8-6-17)19-3-2-4-21(28)12-19/h2-10,12-13,22,25,34H,11,14-15H2,1H3,(H,29,35)(H,36,37)/t22-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471714 (US10829438, Example 6A | US11174219, Example 6A) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1cc(no1)-c1ccccc1F)C(O)=O |r| Show InChI InChI=1S/C27H22ClFN2O5/c28-19-5-3-4-18(13-19)17-10-8-16(9-11-17)12-20(14-24(32)27(34)35)30-26(33)25-15-23(31-36-25)21-6-1-2-7-22(21)29/h1-11,13,15,20,24,32H,12,14H2,(H,30,33)(H,34,35)/t20-,24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50407299 (CHEMBL2052007) Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17+,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50407299 (CHEMBL2052007) Show SMILES C[C@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17+,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471711 (US10829438, Example 1M | US11174219, Example 1M) Show SMILES CCCC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H29ClN4O7/c1-2-4-27(36)40-17-41-34-25-15-21(11-12-24(25)32-33-34)28(37)31-23(16-26(35)29(38)39)13-18-7-9-19(10-8-18)20-5-3-6-22(30)14-20/h3,5-12,14-15,23,26,35H,2,4,13,16-17H2,1H3,(H,31,37)(H,38,39)/t23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	3.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471711 (US10829438, Example 1M | US11174219, Example 1M) Show SMILES CCCC(=O)OCOn1nnc2ccc(cc12)C(=O)N[C@@H](C[C@@H](O)C(O)=O)Cc1ccc(cc1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H29ClN4O7/c1-2-4-27(36)40-17-41-34-25-15-21(11-12-24(25)32-33-34)28(37)31-23(16-26(35)29(38)39)13-18-7-9-19(10-8-18)20-5-3-6-22(30)14-20/h3,5-12,14-15,23,26,35H,2,4,13,16-17H2,1H3,(H,31,37)(H,38,39)/t23-,26-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	3.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50407298 (CHEMBL2051772) Show SMILES C[C@@H]([C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C20H23NO3S/c1-14(16-10-6-3-7-11-16)17(13-25)19(22)21-18(20(23)24)12-15-8-4-2-5-9-15/h2-11,14,17-18,25H,12-13H2,1H3,(H,21,22)(H,23,24)/t14-,17-,18+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50407297 (CHEMBL2052008) Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471709 (US10829438, Example 1I | US11174219, Example 1I) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc2nnn(OCc3ccccc3)c2c1)C(O)=O |r| Show InChI InChI=1S/C31H27ClN4O5/c32-25-8-4-7-23(16-25)22-11-9-20(10-12-22)15-26(18-29(37)31(39)40)33-30(38)24-13-14-27-28(17-24)36(35-34-27)41-19-21-5-2-1-3-6-21/h1-14,16-17,26,29,37H,15,18-19H2,(H,33,38)(H,39,40)/t26-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				US Patent US10829438 (2020) BindingDB Entry DOI: 10.7270/Q29C71H0
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme/Ribosomal RNA small subunit methyltransferase NEP1 (Human-Homo sapiens (Human))	BDBM471709 (US10829438, Example 1I | US11174219, Example 1I) Show SMILES O[C@H](C[C@@H](Cc1ccc(cc1)-c1cccc(Cl)c1)NC(=O)c1ccc2nnn(OCc3ccccc3)c2c1)C(O)=O |r| Show InChI InChI=1S/C31H27ClN4O5/c32-25-8-4-7-23(16-25)22-11-9-20(10-12-22)15-26(18-29(37)31(39)40)33-30(38)24-13-14-27-28(17-24)36(35-34-27)41-19-21-5-2-1-3-6-21/h1-14,16-17,26,29,37H,15,18-19H2,(H,33,38)(H,39,40)/t26-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were performed in 384-well white opaque plates at 37° C. using the fluorogenic peptide substrates at a concentration of 10 μM in Assa...				Citation and Details BindingDB Entry DOI: 10.7270/Q20V8H0G
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50407297 (CHEMBL2052008) Show SMILES C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C14H19NO3S/c1-9(11-6-4-3-5-7-11)12(8-19)13(16)15-10(2)14(17)18/h3-7,9-10,12,19H,8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50001591 ((S)-2-[(S)-2-(2-Cyano-acetylamino)-1-oxo-3-phenyl-...) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CC#N Show InChI InChI=1S/C21H21N3O4/c22-12-11-19(25)23-17(13-15-7-3-1-4-8-15)20(26)24-18(21(27)28)14-16-9-5-2-6-10-16/h1-10,17-18H,11,13-14H2,(H,23,25)(H,24,26)(H,27,28)/t17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baxter Diagnostics Inc. Curated by ChEMBL					Assay Description Inhibition of hydrolysis of N-[3-(2-furyl)acryloyll-Phe-Gly-Gly7 by angiotensin I converting enzyme				J Med Chem 35: 4175-9 (1992) BindingDB Entry DOI: 10.7270/Q2416W1P
					More data for this Ligand-Target Pair
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 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 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
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50027132 (1-[5-Benzoylamino-6-(3,4-dimethoxy-phenyl)-4-oxo-h...) Show SMILES COc1ccc(CC(NC(=O)c2ccccc2)C(=O)CCC(=O)N2CCC[C@H]2C(O)=O)cc1OC Show InChI InChI=1S/C26H30N2O7/c1-34-22-12-10-17(16-23(22)35-2)15-19(27-25(31)18-7-4-3-5-8-18)21(29)11-13-24(30)28-14-6-9-20(28)26(32)33/h3-5,7-8,10,12,16,19-20H,6,9,11,13-15H2,1-2H3,(H,27,31)(H,32,33)/t19?,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50027344 ((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20	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
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50027344 ((S)-1-((S)-5-benzamido-4-oxo-6-phenylhexanoyl)pyrr...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5/c27-21(13-14-22(28)26-15-7-12-20(26)24(30)31)19(16-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19-,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Angiotensin I converting enzyme				J Med Chem 25: 996-9 (1982) BindingDB Entry DOI: 10.7270/Q2154G1D
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041062 (3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-meth...) Show SMILES COc1ccc(cc1)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C21H25NO5S/c1-13(15-5-9-17(27-2)10-6-15)18(12-28)20(24)22-19(21(25)26)11-14-3-7-16(23)8-4-14/h3-10,13,18-19,23,28H,11-12H2,1-2H3,(H,22,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041063 (2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-pentano...) Show SMILES CCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O Show InChI InChI=1S/C16H23NO3S/c1-3-7-14(16(19)20)17-15(18)13(10-21)11(2)12-8-5-4-6-9-12/h4-6,8-9,11,13-14,21H,3,7,10H2,1-2H3,(H,17,18)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041060 (2-[3-(3,4-Dimethoxy-phenyl)-2-mercaptomethyl-butyr...) Show SMILES COc1ccc(cc1OC)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C22H27NO6S/c1-13(15-6-9-19(28-2)20(11-15)29-3)17(12-30)21(25)23-18(22(26)27)10-14-4-7-16(24)8-5-14/h4-9,11,13,17-18,24,30H,10,12H2,1-3H3,(H,23,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041054 (3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...) Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C20H23NO4S/c1-13(15-5-3-2-4-6-15)17(12-26)19(23)21-18(20(24)25)11-14-7-9-16(22)10-8-14/h2-10,13,17-18,22,26H,11-12H2,1H3,(H,21,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50027476 (1-[2-(3-Benzoylamino-2-oxo-4-phenyl-butoxy)-acetyl...) Show SMILES OC(=O)[C@H]1CCCN1C(=O)COCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O6/c27-21(15-32-16-22(28)26-13-7-12-20(26)24(30)31)19(14-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m1/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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Angiotensin I converting enzyme				J Med Chem 25: 996-9 (1982) BindingDB Entry DOI: 10.7270/Q2154G1D
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041057 (2-[3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-butyry...) Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(F)c(F)c1 Show InChI InChI=1S/C20H21F2NO4S/c1-11(13-4-7-16(21)17(22)9-13)15(10-28)19(25)23-18(20(26)27)8-12-2-5-14(24)6-3-12/h2-7,9,11,15,18,24,28H,8,10H2,1H3,(H,23,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50027147 (1-[5-Benzoylamino-6-(4-hydroxy-phenyl)-4-oxo-hexan...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O6/c27-18-10-8-16(9-11-18)15-19(25-23(30)17-5-2-1-3-6-17)21(28)12-13-22(29)26-14-4-7-20(26)24(31)32/h1-3,5-6,8-11,19-20,27H,4,7,12-15H2,(H,25,30)(H,31,32)/t19?,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	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
Angiotensin-converting enzyme (Mus musculus)	BDBM50041053 (2-[3-(3,4-Difluoro-phenyl)-2-mercaptomethyl-butyry...) Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)c(F)c1)C(O)=O Show InChI InChI=1S/C14H17F2NO3S/c1-7(9-3-4-11(15)12(16)5-9)10(6-21)13(18)17-8(2)14(19)20/h3-5,7-8,10,21H,6H2,1-2H3,(H,17,18)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041052 (2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-butyric...) Show SMILES CCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O Show InChI InChI=1S/C15H21NO3S/c1-3-13(15(18)19)16-14(17)12(9-20)10(2)11-7-5-4-6-8-11/h4-8,10,12-13,20H,3,9H2,1-2H3,(H,16,17)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50027144 (1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-p...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1cccnc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C23H25N3O5/c27-20(10-11-21(28)26-13-5-9-19(26)23(30)31)18(14-16-6-4-12-24-15-16)25-22(29)17-7-2-1-3-8-17/h1-4,6-8,12,15,18-19H,5,9-11,13-14H2,(H,25,29)(H,30,31)/t18?,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	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
Angiotensin-converting enzyme (Mus musculus)	BDBM50041064 (2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...) Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(F)cc1 Show InChI InChI=1S/C20H22FNO4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11H2,1H3,(H,22,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041061 (2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-hexanoi...) Show SMILES CCCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O Show InChI InChI=1S/C17H25NO3S/c1-3-4-10-15(17(20)21)18-16(19)14(11-22)12(2)13-8-6-5-7-9-13/h5-9,12,14-15,22H,3-4,10-11H2,1-2H3,(H,18,19)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041068 (3-(4-Hydroxy-phenyl)-2-[3-(4-hydroxy-phenyl)-2-mer...) Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(O)cc1 Show InChI InChI=1S/C20H23NO5S/c1-12(14-4-8-16(23)9-5-14)17(11-27)19(24)21-18(20(25)26)10-13-2-6-15(22)7-3-13/h2-9,12,17-18,22-23,27H,10-11H2,1H3,(H,21,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	9	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				3D Structure (crystal)
Angiotensin-converting enzyme (Mus musculus)	BDBM50041058 (2-(3-Benzo[1,3]dioxol-5-yl-2-mercaptomethyl-butyry...) Show SMILES CC(NC(=O)C(CS)C(C)c1ccc2OCOc2c1)C(O)=O Show InChI InChI=1S/C15H19NO5S/c1-8(10-3-4-12-13(5-10)21-7-20-12)11(6-22)14(17)16-9(2)15(18)19/h3-5,8-9,11,22H,6-7H2,1-2H3,(H,16,17)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50027146 (1-[5-Benzoylamino-6-(4-benzyloxy-phenyl)-4-oxo-hex...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C31H32N2O6/c34-28(17-18-29(35)33-19-7-12-27(33)31(37)38)26(32-30(36)24-10-5-2-6-11-24)20-22-13-15-25(16-14-22)39-21-23-8-3-1-4-9-23/h1-6,8-11,13-16,26-27H,7,12,17-21H2,(H,32,36)(H,37,38)/t26?,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	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
Angiotensin-converting enzyme (Mus musculus)	BDBM50041067 (2-[3-(4-Fluoro-phenyl)-2-mercaptomethyl-butyrylami...) Show SMILES CC(NC(=O)C(CS)C(C)c1ccc(F)cc1)C(O)=O Show InChI InChI=1S/C14H18FNO3S/c1-8(10-3-5-11(15)6-4-10)12(7-20)13(17)16-9(2)14(18)19/h3-6,8-9,12,20H,7H2,1-2H3,(H,16,17)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory concentration against angiotensin-converting enzyme				Bioorg Med Chem Lett 4: 2715-2720 (1994) Article DOI: 10.1016/S0960-894X(01)80703-4 BindingDB Entry DOI: 10.7270/Q2SB467B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme 2 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Angiotensin I converting enzyme				J Med Chem 24: 104-9 (1981) BindingDB Entry DOI: 10.7270/Q2ZW1MGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50027478 (1-[2-(3-Benzoylamino-2-oxo-4-phenyl-butylsulfanyl)...) Show SMILES OC(=O)[C@H]1CCCN1C(=O)CSCC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C24H26N2O5S/c27-21(15-32-16-22(28)26-13-7-12-20(26)24(30)31)19(14-17-8-3-1-4-9-17)25-23(29)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,25,29)(H,30,31)/t19?,20-/m1/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	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Angiotensin I converting enzyme				J Med Chem 25: 996-9 (1982) BindingDB Entry DOI: 10.7270/Q2154G1D
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041055 (2-[3-(4-Amino-phenyl)-2-mercaptomethyl-butyrylamin...) Show SMILES CC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccc(N)cc1 Show InChI InChI=1S/C20H24N2O4S/c1-12(14-4-6-15(21)7-5-14)17(11-27)19(24)22-18(20(25)26)10-13-2-8-16(23)9-3-13/h2-9,12,17-18,23,27H,10-11,21H2,1H3,(H,22,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Laboratories Limited Curated by ChEMBL					Assay Description Inhibitory activity against human renin inhibition (at pH 7.4)				Bioorg Med Chem Lett 27: 2313-2318 (2017) Article DOI: 10.1016/j.bmcl.2017.04.036 BindingDB Entry DOI: 10.7270/Q2ZC858S
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50286721 ((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C27H28N2O4S/c30-25(24(34)16-18-8-2-1-3-9-18)28-22(26(31)29-15-7-14-23(29)27(32)33)17-20-12-6-11-19-10-4-5-13-21(19)20/h1-6,8-13,22-24,34H,7,14-17H2,(H,28,30)(H,32,33)/t22-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of angiotensin converting enzyme (ACE)				Bioorg Med Chem Lett 5: 735-738 (1995) Article DOI: 10.1016/0960-894X(95)00105-3 BindingDB Entry DOI: 10.7270/Q2611097
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50041051 (2-[3-(4-Hydroxy-3-methoxy-phenyl)-2-mercaptomethyl...) Show SMILES COc1cc(ccc1O)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C21H25NO6S/c1-12(14-5-8-18(24)19(10-14)28-2)16(11-29)20(25)22-17(21(26)27)9-13-3-6-15(23)7-4-13/h3-8,10,12,16-17,23-24,29H,9,11H2,1-2H3,(H,22,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory potency against angiotensin converting enzyme by displacement of [3H]-trandolaprilate binding in mouse lung				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
					More data for this Ligand-Target Pair

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