BDBM50080544 (2-Amino-6-benzyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-3-yl)-(3,4-dichloro-phenyl)-methanone::CHEMBL118375

SMILES: Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=WLTNPNYFPWRCSK-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 = 50080544   

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))	BDBM50080544 ((2-Amino-6-benzyl-4,5,6,7-tetrahydro-thieno[2,3-c]...) Show SMILES Nc1sc2CN(Cc3ccccc3)CCc2c1C(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C21H18Cl2N2OS/c22-16-7-6-14(10-17(16)23)20(26)19-15-8-9-25(12-18(15)27-21(19)24)11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12,24H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.20E+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