BindingDB PrimarySearch

BDBM50038066 (S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-indol-3-yl)-propionic acid::2-((S)-2-Amino-3-methyl-butyrylamino)-3-(S)-1H-indol-3-yl-propionic acid::CHEMBL91777::Val-Trp

SMILES: CC(C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=LZDNBBYBDGBADK-KBPBESRZSA-N

Data: 6 IC50 1 Kd 1 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50038066
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
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50038066 ((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Proteus Molecular Design Ltd. Curated by ChEMBL					Assay Description Inhibition against ACE.				J Med Chem 37: 3994-4002 (1994) BindingDB Entry DOI: 10.7270/Q2XW4HWB
Proteus Molecular Design Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50038066 ((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin University Curated by ChEMBL					Assay Description Inhibition of ACE (unknown origin)				Eur J Med Chem 84: 100-6 (2014) Article DOI: 10.1016/j.ejmech.2014.07.015 BindingDB Entry DOI: 10.7270/Q29025F2
Tianjin University Curated by ChEMBL					More data for this Ligand-Target Pair
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50038066 ((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human PEPT1 assessed as inhibition of [14C]Gly-Sar uptake in MDCK cells				J Med Chem 49: 3636-44 (2006) Article DOI: 10.1021/jm0511029 BindingDB Entry DOI: 10.7270/Q2P55P9R
Pharmaceutical Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50038066 ((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	n/a	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Binding affinity against Thermolysin				J Med Chem 45: 2770-80 (2002) Article DOI: 10.1021/jm0105833 BindingDB Entry DOI: 10.7270/Q2MG7S8S
Harvard University Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50038066 ((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Biological activity was measured against Angiotensin I converting enzyme				J Med Chem 38: 2705-13 (1995) BindingDB Entry DOI: 10.7270/Q2GX4CSN
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50038066 ((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity on Angiotensin I converting enzyme (ACE) obtained from pig renal cortex and hippuryl-histidyl-leucine as substrate				J Med Chem 32: 289-97 (1989) BindingDB Entry DOI: 10.7270/Q2XP75JS
Tanabe Seiyaku Co., Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50038066 ((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin) using Gly-Pro-pNA as substrate after 60 mins				Eur J Med Chem 151: 145-157 (2018) Article DOI: 10.1016/j.ejmech.2018.03.041 BindingDB Entry DOI: 10.7270/Q2CZ39SV
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
Oligopeptide transporter small intestine isoform (Homo sapiens (Human))	BDBM50038066 ((S)-2-((S)-2-Amino-3-methyl-butyrylamino)-3-(1H-in...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Activation of human PEPT1 expressed in MDCK cells				J Med Chem 49: 3636-44 (2006) Article DOI: 10.1021/jm0511029 BindingDB Entry DOI: 10.7270/Q2P55P9R
Pharmaceutical Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair