Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50029765   

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))	BDBM50287694 (3-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalen...) Show SMILES COC(=O)CCNC(=O)C1(CS)CCc2ccccc2C1 Show InChI InChI=1S/C16H21NO3S/c1-20-14(18)7-9-17-15(19)16(11-21)8-6-12-4-2-3-5-13(12)10-16/h2-5,21H,6-11H2,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287702 ((S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphth...) Show SMILES C[C@H](NC(=O)C1(CS)CCc2ccccc2C1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C22H25NO3S/c1-16(20(24)26-14-17-7-3-2-4-8-17)23-21(25)22(15-27)12-11-18-9-5-6-10-19(18)13-22/h2-10,16,27H,11-15H2,1H3,(H,23,25)/t16-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287689 (CHEMBL304233 | [(2-Mercaptomethyl-1,2,3,4-tetrahyd...) Show SMILES SCC1(CCc2ccccc2C1)C(=O)NCC(=O)OCc1ccccc1 Show InChI InChI=1S/C21H23NO3S/c23-19(25-14-16-6-2-1-3-7-16)13-22-20(24)21(15-26)11-10-17-8-4-5-9-18(17)12-21/h1-9,26H,10-15H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287700 ((S)-3-(4-Hydroxy-phenyl)-2-[(2-mercaptomethyl-1,2,...) Show SMILES Oc1ccc(C[C@H](NC(=O)C2(CS)CCc3ccccc3C2)C(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C28H29NO4S/c30-24-12-10-20(11-13-24)16-25(26(31)33-18-21-6-2-1-3-7-21)29-27(32)28(19-34)15-14-22-8-4-5-9-23(22)17-28/h1-13,25,30,34H,14-19H2,(H,29,32)/t25-,28?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287690 (7-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalen...) Show SMILES OC(=O)CCCCCCNC(=O)C1(CS)CCc2ccccc2C1 Show InChI InChI=1S/C19H27NO3S/c21-17(22)9-3-1-2-6-12-20-18(23)19(14-24)11-10-15-7-4-5-8-16(15)13-19/h4-5,7-8,24H,1-3,6,9-14H2,(H,20,23)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287699 (4-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalen...) Show SMILES OC(=O)C1CCC(CC1)NC(=O)C1(CS)CCc2ccccc2C1 |(19.02,-7.43,;17.57,-6.91,;17.3,-5.39,;16.39,-7.89,;16.39,-9.43,;15.5,-8.45,;13.75,-8.17,;13.77,-6.63,;14.58,-7.58,;12.44,-8.97,;11.09,-8.22,;11.08,-6.68,;9.76,-8.99,;9.76,-10.53,;11.08,-11.32,;9.76,-7.44,;8.43,-6.67,;7.1,-7.45,;5.76,-6.68,;4.43,-7.45,;4.43,-8.99,;5.76,-9.76,;7.09,-8.99,;8.43,-9.76,)| Show InChI InChI=1S/C19H25NO3S/c21-17(22)14-5-7-16(8-6-14)20-18(23)19(12-24)10-9-13-3-1-2-4-15(13)11-19/h1-4,14,16,24H,5-12H2,(H,20,23)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024096 (((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@H](CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Rattus norvegicus (Rat))	BDBM50287696 ((S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphth...) Show SMILES CC(C)[C@H](NC(=O)C1(CS)CCc2ccccc2C1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C24H29NO3S/c1-17(2)21(22(26)28-15-18-8-4-3-5-9-18)25-23(27)24(16-29)13-12-19-10-6-7-11-20(19)14-24/h3-11,17,21,29H,12-16H2,1-2H3,(H,25,27)/t21-,24?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287695 ((S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphth...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CS)CCc2ccccc2C1 Show InChI InChI=1S/C22H25NO3S/c1-26-20(24)19(13-16-7-3-2-4-8-16)23-21(25)22(15-27)12-11-17-9-5-6-10-18(17)14-22/h2-10,19,27H,11-15H2,1H3,(H,23,25)/t19-,22?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287701 ((4S,7S)-7-(2-Mercapto-acetylamino)-6-oxo-1,2,3,4,6...) Show SMILES OC(=O)[C@@H]1CCCC2N1C(=O)[C@H](Cc1ccccc21)NC(=O)CS Show InChI InChI=1S/C17H20N2O4S/c20-15(9-24)18-12-8-10-4-1-2-5-11(10)13-6-3-7-14(17(22)23)19(13)16(12)21/h1-2,4-5,12-14,24H,3,6-9H2,(H,18,20)(H,22,23)/t12-,13?,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287693 ((S)-2-[(2-Mercaptomethyl-1,2,3,4-tetrahydro-naphth...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C1(CS)CCc2ccccc2C1 Show InChI InChI=1S/C19H27NO3S/c1-13(2)10-16(17(21)23-3)20-18(22)19(12-24)9-8-14-6-4-5-7-15(14)11-19/h4-7,13,16,24H,8-12H2,1-3H3,(H,20,22)/t16-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287692 (CHEMBL431957 | [(2-Mercaptomethyl-indane-2-carbony...) Show SMILES SCC1(Cc2ccccc2C1)C(=O)NCC(=O)OCc1ccccc1 Show InChI InChI=1S/C20H21NO3S/c22-18(24-13-15-6-2-1-3-7-15)12-21-19(23)20(14-25)10-16-8-4-5-9-17(16)11-20/h1-9,25H,10-14H2,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287691 (2-Mercaptomethyl-1,2,3,4-tetrahydro-naphthalene-2-...) Show SMILES SCC1(CCc2ccccc2C1)C(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C20H21NO3S/c22-19(21-11-14-5-6-17-18(9-14)24-13-23-17)20(12-25)8-7-15-3-1-2-4-16(15)10-20/h1-6,9,25H,7-8,10-13H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287698 ((4S,7R)-7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-o...) Show SMILES OC(=O)[C@@H]1CCCC2N1C(=O)[C@H](CS)Cc1ccccc21 Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287697 ((4S,7S)-7-Mercaptomethyl-6-oxo-1,2,3,4,6,7,8,12b-o...) Show SMILES OC(=O)[C@@H]1CCCC2N1C(=O)[C@@H](CS)Cc1ccccc21 Show InChI InChI=1S/C16H19NO3S/c18-15-11(9-21)8-10-4-1-2-5-12(10)13-6-3-7-14(16(19)20)17(13)15/h1-2,4-5,11,13-14,21H,3,6-9H2,(H,19,20)/t11-,13?,14+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase(NEP).				Bioorg Med Chem Lett 6: 2053-2058 (1996) Article DOI: 10.1016/0960-894X(96)00367-8 BindingDB Entry DOI: 10.7270/Q29G5MSW
					More data for this Ligand-Target Pair