Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50036188   

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 (Rattus norvegicus (Rat))	BDBM50042828 (4-Hydroxy-1-(9-mercaptomethyl-10-oxo-azecane-2-car...) Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C16H26N2O5S/c19-11-7-13(16(22)23)18(8-11)15(21)12-6-4-2-1-3-5-10(9-24)14(20)17-12/h10-13,19,24H,1-9H2,(H,17,20)(H,22,23)/t10?,11-,12?,13+/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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042835 (1-(9-Mercaptomethyl-10-oxo-azecane-2-carbonyl)-pyr...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C16H26N2O4S/c19-14-11(10-23)6-3-1-2-4-7-12(17-14)15(20)18-9-5-8-13(18)16(21)22/h11-13,23H,1-10H2,(H,17,19)(H,21,22)/t11?,12?,13-/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	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042827 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES OC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C11H19NO3S/c13-10-8(7-16)5-3-1-2-4-6-9(12-10)11(14)15/h8-9,16H,1-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042827 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES OC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C11H19NO3S/c13-10-8(7-16)5-3-1-2-4-6-9(12-10)11(14)15/h8-9,16H,1-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042832 (3-Hydroxy-2-[(9-mercaptomethyl-10-oxo-azecane-2-ca...) Show SMILES OC[C@@H](NC(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C14H24N2O5S/c17-7-11(14(20)21)16-13(19)10-6-4-2-1-3-5-9(8-22)12(18)15-10/h9-11,17,22H,1-8H2,(H,15,18)(H,16,19)(H,20,21)/t9?,10?,11-/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	11	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042831 (6-Amino-2-[(9-mercaptomethyl-10-oxo-azecane-2-carb...) Show SMILES NCCCC[C@@H](NC(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C17H31N3O4S/c18-10-6-5-9-14(17(23)24)20-16(22)13-8-4-2-1-3-7-12(11-25)15(21)19-13/h12-14,25H,1-11,18H2,(H,19,21)(H,20,22)(H,23,24)/t12?,13?,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	14	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042830 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES SCC1CCCCCCC(NC1=O)C(=O)Nc1cccnc1 Show InChI InChI=1S/C16H23N3O2S/c20-15-12(11-22)6-3-1-2-4-8-14(19-15)16(21)18-13-7-5-9-17-10-13/h5,7,9-10,12,14,22H,1-4,6,8,11H2,(H,18,21)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042829 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES CS(=O)(=O)CCCNC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C15H28N2O4S2/c1-23(20,21)10-6-9-16-15(19)13-8-5-3-2-4-7-12(11-22)14(18)17-13/h12-13,22H,2-11H2,1H3,(H,16,19)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042836 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES OCCOCCNC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C15H28N2O4S/c18-8-10-21-9-7-16-15(20)13-6-4-2-1-3-5-12(11-22)14(19)17-13/h12-13,18,22H,1-11H2,(H,16,20)(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042834 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES OCCCNC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C14H26N2O3S/c17-9-5-8-15-14(19)12-7-4-2-1-3-6-11(10-20)13(18)16-12/h11-12,17,20H,1-10H2,(H,15,19)(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042833 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES SCC1CCCCCCC(NC1=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C17H24N2O2S/c20-16-13(12-22)8-4-1-2-7-11-15(19-16)17(21)18-14-9-5-3-6-10-14/h3,5-6,9-10,13,15,22H,1-2,4,7-8,11-12H2,(H,18,21)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	551	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042827 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES OC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C11H19NO3S/c13-10-8(7-16)5-3-1-2-4-6-9(12-10)11(14)15/h8-9,16H,1-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair