Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50029770   

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))	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	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of rat kidney neutral endopeptidase				Bioorg Med Chem Lett 6: 2097-2102 (1996) Article DOI: 10.1016/0960-894X(96)00375-7 BindingDB Entry DOI: 10.7270/Q2X92B8K
					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	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of rat kidney neutral endopeptidase				Bioorg Med Chem Lett 6: 2097-2102 (1996) Article DOI: 10.1016/0960-894X(96)00375-7 BindingDB Entry DOI: 10.7270/Q2X92B8K
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of rat kidney neutral endopeptidase				Bioorg Med Chem Lett 6: 2097-2102 (1996) Article DOI: 10.1016/0960-894X(96)00375-7 BindingDB Entry DOI: 10.7270/Q2X92B8K
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287716 (CHEMBL63704 | [((1S,2R,5S)-2-Mercapto-5-phenyl-cyc...) Show SMILES OC(=O)CNC(=O)[C@H]1[C@H](S)CC[C@@H]1c1ccccc1 Show InChI InChI=1S/C14H17NO3S/c16-12(17)8-15-14(18)13-10(6-7-11(13)19)9-4-2-1-3-5-9/h1-5,10-11,13,19H,6-8H2,(H,15,18)(H,16,17)/t10-,11-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of rat kidney neutral endopeptidase				Bioorg Med Chem Lett 6: 2097-2102 (1996) Article DOI: 10.1016/0960-894X(96)00375-7 BindingDB Entry DOI: 10.7270/Q2X92B8K
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50287717 (CHEMBL67069 | [((1R,2S,5R)-2-Mercapto-5-phenyl-cyc...) Show SMILES OC(=O)CNC(=O)[C@@H]1[C@@H](S)CC[C@H]1c1ccccc1 Show InChI InChI=1S/C14H17NO3S/c16-12(17)8-15-14(18)13-10(6-7-11(13)19)9-4-2-1-3-5-9/h1-5,10-11,13,19H,6-8H2,(H,15,18)(H,16,17)/t10-,11-,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibition of rat kidney neutral endopeptidase				Bioorg Med Chem Lett 6: 2097-2102 (1996) Article DOI: 10.1016/0960-894X(96)00375-7 BindingDB Entry DOI: 10.7270/Q2X92B8K
					More data for this Ligand-Target Pair