BDBM50048460 3-Methylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]thiophene-1-carboxylic acid::CHEMBL132222

SMILES: CSc1sc(C(O)=O)c2CCCC(=O)c12

InChI Key: InChIKey=YUEPFPUBEDTMTC-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50048460   

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
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50048460 (3-Methylsulfanyl-4-oxo-4,5,6,7-tetrahydro-benzo[c]...) Show SMILES CSc1sc(C(O)=O)c2CCCC(=O)c12 Show InChI InChI=1S/C10H10O3S2/c1-14-10-7-5(3-2-4-6(7)11)8(15-10)9(12)13/h2-4H2,1H3,(H,12,13)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.94E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Tested for the displacement [3H]-PIA from Adenosine A1 receptor in rat brain membrane				J Med Chem 39: 398-406 (1996) Article DOI: 10.1021/jm9504823 BindingDB Entry DOI: 10.7270/Q2M61JBR
					More data for this Ligand-Target Pair