BindingDB PrimarySearch

BDBM50024102 ((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-acetic acid::(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-GLYCINE::(S) (2-Mercaptomethyl-3-phenyl-propionylamino)-acetic acid::2-[1-(2-Carboxy-2-hydroxy-ethylcarbamoyl)-2-phenyl-ethylamino]-4-phenyl-butyric acid(Thiorphan)::CHEMBL298827

SMILES: OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1

InChI Key: InChIKey=LJJKNPQAGWVLDQ-SNVBAGLBSA-N

Data: 7 KI 9 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50024102
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Neprilysin (Homo sapiens (Human))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France. Curated by ChEMBL					Assay Description Inhibition of human recombinant NEP using Suc-Ala-Ala-Phe-AMC as substrate after 30 mins by fluorimetry				J Med Chem 57: 5748-63 (2014) Article DOI: 10.1021/jm500602h BindingDB Entry DOI: 10.7270/Q2Q241TH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for binding affinity against neutral endopeptidase (NEP)				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Homo sapiens (Human))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for inhibition of recombinant human neprilysin(NEP).				Bioorg Med Chem Lett 6: 2437-2440 (1996) Article DOI: 10.1016/0960-894X(96)00448-9 BindingDB Entry DOI: 10.7270/Q2JS9QD0
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Homo sapiens (Human))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads Curated by ChEMBL					Assay Description Inhibition of recombinant human Neprilysin using Suc-Ala-Ala-Phe-AMC as substrate preincubated for 30 mins followed by substrate addition measured af...				Eur J Med Chem 102: 58-67 (2015) BindingDB Entry DOI: 10.7270/Q2V989WW
Pharmaleads Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aminopeptidase N (Homo sapiens (Human))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads Curated by ChEMBL					Assay Description Inhibition of recombinant human Aminopeptidase N using L-Ala-beta-NA as substrate preincubated for 30 mins followed by substrate addition measured af...				Eur J Med Chem 102: 58-67 (2015) BindingDB Entry DOI: 10.7270/Q2V989WW
Pharmaleads Curated by ChEMBL					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	1.80E+9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for binding against Thermolysin				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Homo sapiens (Human))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human NEP using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysis				J Med Chem 63: 5488-5500 (2020) Article DOI: 10.1021/acs.jmedchem.0c00441
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin-converting enzyme (ACE).				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory activity against Endopeptidase				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibitory activity against angiotensin I converting enzyme (ACE)				J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4
University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank 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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neutral Endopeptidase (NEP) (Rattus norvegicus (Rat))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Concentration for 50% inhibition of activity of rat kidney enkephalinase				J Med Chem 29: 751-7 (1986) BindingDB Entry DOI: 10.7270/Q2HM57F3
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human ACE using MCA-RPPGFSAFK-Dnp-OH as substrate by fluorescence based analysis				J Med Chem 63: 5488-5500 (2020) Article DOI: 10.1021/acs.jmedchem.0c00441
University of Bath Curated by ChEMBL					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for binding affinity against Thermolysin				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50024102 (((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...) Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibition against neutral endopeptidase (NEP)				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
INSERM Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)