BDBM50121953 2-mercaptoethanecarboxylic acid::3-mercaptopropanoic acid::3-mercaptopropionic acid::3-sulfanylpropanoic acid::3-thiohydracrylic acid::3-thiolpropanoic acid::3-thiopropanoic acid::3-thiopropionic acid::3MPA::CHEMBL358697::beta-mercaptopropionic acid::beta-thiopropionic acid

SMILES: OC(=O)CCS

InChI Key: InChIKey=DKIDEFUBRARXTE-UHFFFAOYSA-N

Data: 1 KI  1 Kd

PDB links: 27 PDB IDs match 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 = 50121953   

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
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM50121953 (2-mercaptoethanecarboxylic acid | 3-mercaptopropan...) Show SMILES OC(=O)CCS Show InChI InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Toho University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa beta-lactamase IMP-1 assessed as hydrolysis of nitrocefin by UV spectrophotometric analysis				Antimicrob Agents Chemother 54: 3625-9 (2010) Article DOI: 10.1128/AAC.01397-09 BindingDB Entry DOI: 10.7270/Q29C6XQ2
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50121953 (2-mercaptoethanecarboxylic acid | 3-mercaptopropan...) Show SMILES OC(=O)CCS Show InChI InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	n/a	3.00E+6	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding to stromelysin (MMP-3) in place of acetohydroxamic acid.				J Med Chem 45: 5628-39 (2002) BindingDB Entry DOI: 10.7270/Q20C4V3M
					More data for this Ligand-Target Pair