BDBM50080541 (2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-(4-iodo-phenyl)-methanone::CHEMBL333347

SMILES: Nc1sc2CCCCc2c1C(=O)c1ccc(I)cc1

InChI Key: InChIKey=MNJVLMYVCJMLJP-UHFFFAOYSA-N

Data: 1 EC50

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 = 50080541   

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))	BDBM50080541 ((2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)...) Show SMILES Nc1sc2CCCCc2c1C(=O)c1ccc(I)cc1 Show InChI InChI=1S/C15H14INOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a
Leiden/Amsterdam Center for Drug Research Curated by ChEMBL					Assay Description Enhanced 0.5 nM [3H]-CCPA dissociation from adenosine A1 receptor of rat brain cortex membranes compared to 100 uM CPA				J Med Chem 42: 3629-35 (1999) Article DOI: 10.1021/jm991051d BindingDB Entry DOI: 10.7270/Q28K789Z
					More data for this Ligand-Target Pair