BDBM50020805 (2-Mercapto-propionylamino)-acetic acid::CHEMBL1314::TIOPRONIN

SMILES: CC(S)C(=O)NCC(O)=O

InChI Key: InChIKey=YTGJWQPHMWSCST-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50020805   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020805 ((2-Mercapto-propionylamino)-acetic acid | CHEMBL13...) Show SMILES CC(S)C(=O)NCC(O)=O Show InChI InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the activity of rabbit lung Angiotensin I converting enzyme				J Med Chem 29: 784-96 (1986) BindingDB Entry DOI: 10.7270/Q2F47N4B
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50020805 ((2-Mercapto-propionylamino)-acetic acid | CHEMBL13...) Show SMILES CC(S)C(=O)NCC(O)=O Show InChI InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against rabbit lung Angiotensin I converting enzyme at pH 8.3				J Med Chem 28: 57-66 (1985) BindingDB Entry DOI: 10.7270/Q2M90975
					More data for this Ligand-Target Pair