BindingDB PrimarySearch

BDBM39346 (2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydrochloride::(2S)-2-amino-3-mercapto-3-methylbutanoic acid;hydrochloride::(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;hydrochloride::(2S)-2-azanyl-3-methyl-3-sulfanyl-butanoic acid;hydrochloride::Cuprenil::D(-)PENICILLAMINE HYDROCHLORIDE::Depen::MLS000028669::Penicillamine::SMR000058903::cid_92173

SMILES: CC(C)(S)[C@@H](N)C(O)=O

InChI Key: InChIKey=VVNCNSJFMMFHPL-VKHMYHEASA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39346
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Genome polyprotein (West Nile virus)	BDBM39346 ((2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydr...) Show SMILES CC(C)(S)[C@@H](N)C(O)=O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by PubChem BioAssay					Assay Description The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2222S6W
University of Pittsburgh Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Cystathionine gamma-lyase (Homo sapiens (Human))	BDBM39346 ((2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydr...) Show SMILES CC(C)(S)[C@@H](N)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of cystathionine gamma-lyase (unknown origin)				ACS Med Chem Lett 8: 1241-1245 (2017) Article DOI: 10.1021/acsmedchemlett.7b00313 BindingDB Entry DOI: 10.7270/Q2N300GT
University of Illinois at Chicago Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (BSEP) (Homo sapiens (Human))	BDBM39346 ((2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydr...) Show SMILES CC(C)(S)[C@@H](N)C(O)=O Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Bile salt export pump (Rattus norvegicus)	BDBM39346 ((2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydr...) Show SMILES CC(C)(S)[C@@H](N)C(O)=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...				Drug Metab Dispos 40: 130-8 (2011) Article DOI: 10.1124/dmd.111.040758 BindingDB Entry DOI: 10.7270/Q20Z7500
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair