null

SMILES: OC(=O)CC(=O)NC(CS)Cc1ccccc1

InChI Key: InChIKey=REPVVNYZORKKPQ-UHFFFAOYSA-N

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 = 92501   

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
EEF1AKMT4-ECE2 readthrough transcript protein (Homo sapiens (Human))	BDBM92501 (Retrothiorphan) Show SMILES OC(=O)CC(=O)NC(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>1.00E+4	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaleads					Assay Description Inhibitory assay against ECE-2.				J Biol Chem 285: 34390-400 (2010) Article DOI: 10.1074/jbc.M110.120576 BindingDB Entry DOI: 10.7270/Q29P307K
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM92501 (Retrothiorphan) Show SMILES OC(=O)CC(=O)NC(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.00E+14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description pKi value expresses binding affinity against thermolysin pKi = -logKi (where Ki is in mol/L)				J Med Chem 45: 1585-97 (2002) Article DOI: 10.1021/jm011039x BindingDB Entry DOI: 10.7270/Q25B057T
					More data for this Ligand-Target Pair				3D Structure (crystal)