Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50035503   

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
Neprilysin (Mus musculus)	BDBM50452141 (CHEMBL2372595) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H18N2O5/c1-9(14(20)21)16-13(19)11(15-8-12(17)18)7-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-,11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Neprilysin (Mus musculus)	BDBM50027522 (2-(2-Carboxy-3-phenyl-propionylamino)-4-methyl-pen...) Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)C([O-])=O)C([O-])=O Show InChI InChI=1S/C16H21NO5/c1-10(2)8-13(16(21)22)17-14(18)12(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Neprilysin (Mus musculus)	BDBM50027514 (2-(2-Carboxymethyl-3-phenyl-propionylamino)-4-meth...) Show SMILES CC(C)CC(NC(=O)C(CC([O-])=O)Cc1ccccc1)C([O-])=O Show InChI InChI=1S/C17H23NO5/c1-11(2)8-14(17(22)23)18-16(21)13(10-15(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Neprilysin (Mus musculus)	BDBM50139892 ((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...) Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Neprilysin (Mus musculus)	BDBM50027518 ((2S)-2-[(2R)-2-[(carboxylatomethyl)amino]-3-phenyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50027518 ((2S)-2-[(2R)-2-[(carboxylatomethyl)amino]-3-phenyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50452141 (CHEMBL2372595) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C14H18N2O5/c1-9(14(20)21)16-13(19)11(15-8-12(17)18)7-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t9-,11-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Neprilysin (Mus musculus)	BDBM50027513 (2-[2-(2-Carboxy-ethylamino)-3-phenyl-propionylamin...) Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NCCC([O-])=O)C([O-])=O Show InChI InChI=1S/C18H26N2O5/c1-12(2)10-15(18(24)25)20-17(23)14(19-9-8-16(21)22)11-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Neprilysin (Mus musculus)	BDBM50224343 (CHEMBL3350383) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Neprilysin (Mus musculus)	BDBM50027517 (CHEMBL2372594) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50027514 (2-(2-Carboxymethyl-3-phenyl-propionylamino)-4-meth...) Show SMILES CC(C)CC(NC(=O)C(CC([O-])=O)Cc1ccccc1)C([O-])=O Show InChI InChI=1S/C17H23NO5/c1-11(2)8-14(17(22)23)18-16(21)13(10-15(19)20)9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50027513 (2-[2-(2-Carboxy-ethylamino)-3-phenyl-propionylamin...) Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)NCCC([O-])=O)C([O-])=O Show InChI InChI=1S/C18H26N2O5/c1-12(2)10-15(18(24)25)20-17(23)14(19-9-8-16(21)22)11-13-6-4-3-5-7-13/h3-7,12,14-15,19H,8-11H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against angiotensin I converting enzyme from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Neprilysin (Mus musculus)	BDBM50027518 ((2S)-2-[(2R)-2-[(carboxylatomethyl)amino]-3-phenyl...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C17H24N2O5/c1-11(2)8-14(17(23)24)19-16(22)13(18-10-15(20)21)9-12-6-4-3-5-7-12/h3-7,11,13-14,18H,8-10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Neprilysin (Mus musculus)	BDBM50027516 (2-(2-Amino-3-phenyl-propionylamino)-4-methyl-penta...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against enkephalinase from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50027516 (2-(2-Amino-3-phenyl-propionylamino)-4-methyl-penta...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C15H22N2O3/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)/t12-,13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against Angiotensin I converting enzyme from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50027522 (2-(2-Carboxy-3-phenyl-propionylamino)-4-methyl-pen...) Show SMILES CC(C)CC(NC(=O)C(Cc1ccccc1)C([O-])=O)C([O-])=O Show InChI InChI=1S/C16H21NO5/c1-10(2)8-13(16(21)22)17-14(18)12(15(19)20)9-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/p-2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against Angiotensin I converting enzyme from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Mus musculus)	BDBM50139892 ((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-propio...) Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description 50% Inhibitory potency against Angiotensin I converting enzyme from mouse striatum.				J Med Chem 26: 60-5 (1983) BindingDB Entry DOI: 10.7270/Q2Q81DP6
					More data for this Ligand-Target Pair