Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50037166   

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 (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))	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))	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	20	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
Neprilysin (Homo sapiens (Human))	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	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 neutral endopeptidase (NEP) 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 (Rattus norvegicus)	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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	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 rat cortex brain membrane				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
Neprilysin (Rattus norvegicus (Rat))	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	200	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 neutral endopeptidase (NEP) from rat cortex brain membrane				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))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	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 (Rattus norvegicus)	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	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 rat cortex brain membrane				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))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	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
Neprilysin (Homo sapiens (Human))	BDBM50130713 (CHEMBL326801 | Thioacetic acid S-(2-benzylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C13H17NO2S/c1-10(9-17-11(2)15)13(16)14-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	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 neutral endopeptidase (NEP) 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
Neprilysin (Homo sapiens (Human))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+4	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 neutral endopeptidase (NEP) 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
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50130713 (CHEMBL326801 | Thioacetic acid S-(2-benzylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C13H17NO2S/c1-10(9-17-11(2)15)13(16)14-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	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 rat cortex brain membrane				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))	BDBM50130715 (4-[(Hydroxy-phenethyl-phosphinoylmethyl)-amino]-bu...) Show SMILES OC(=O)CCCN=CP(O)(O)CCc1ccccc1 |w:6.5| Show InChI InChI=1S/C13H20NO4P/c15-13(16)7-4-9-14-11-19(17,18)10-8-12-5-2-1-3-6-12/h1-3,5-6,11,17-19H,4,7-10H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	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
Angiotensin-converting enzyme (Rattus norvegicus)	BDBM50130715 (4-[(Hydroxy-phenethyl-phosphinoylmethyl)-amino]-bu...) Show SMILES OC(=O)CCCN=CP(O)(O)CCc1ccccc1 |w:6.5| Show InChI InChI=1S/C13H20NO4P/c15-13(16)7-4-9-14-11-19(17,18)10-8-12-5-2-1-3-6-12/h1-3,5-6,11,17-19H,4,7-10H2,(H,15,16)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	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 rat cortex brain membrane				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))	BDBM50130713 (CHEMBL326801 | Thioacetic acid S-(2-benzylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C13H17NO2S/c1-10(9-17-11(2)15)13(16)14-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+5	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
Neprilysin (Rattus norvegicus (Rat))	BDBM50130716 (CHEMBL322069 | Thioacetic acid S-(2-phenylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C12H15NO2S/c1-9(8-16-10(2)14)12(15)13-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,13,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+5	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 neutral endopeptidase (NEP) from rat cortex brain membrane				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
Neprilysin (Rattus norvegicus (Rat))	BDBM50130713 (CHEMBL326801 | Thioacetic acid S-(2-benzylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C13H17NO2S/c1-10(9-17-11(2)15)13(16)14-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+5	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 neutral endopeptidase (NEP) from rat cortex brain membrane				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))	BDBM50130713 (CHEMBL326801 | Thioacetic acid S-(2-benzylcarbamoy...) Show SMILES CC(CSC(C)=O)C(=O)NCc1ccccc1 Show InChI InChI=1S/C13H17NO2S/c1-10(9-17-11(2)15)13(16)14-8-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+5	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
Neprilysin (Rattus norvegicus (Rat))	BDBM50130715 (4-[(Hydroxy-phenethyl-phosphinoylmethyl)-amino]-bu...) Show SMILES OC(=O)CCCN=CP(O)(O)CCc1ccccc1 |w:6.5| Show InChI InChI=1S/C13H20NO4P/c15-13(16)7-4-9-14-11-19(17,18)10-8-12-5-2-1-3-6-12/h1-3,5-6,11,17-19H,4,7-10H2,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+6	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 neutral endopeptidase (NEP) from rat cortex brain membrane				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
Neprilysin (Rattus norvegicus (Rat))	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 GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+6	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 neutral endopeptidase (NEP) from rat cortex brain membrane				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