BDBM50265651 2-(butylthio)-3-phenethyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one::CHEMBL495756

SMILES: CCCCSc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CCc1ccccc1

InChI Key: InChIKey=FOOUCMPIKCEWAX-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50265651   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50265651 (2-(butylthio)-3-phenethyl-3H-spiro[benzo[h]quinazo...) Show SMILES CCCCSc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CCc1ccccc1 Show InChI InChI=1S/C28H32N2OS/c1-2-3-19-32-27-29-25-23-14-8-7-13-22(23)20-28(16-9-10-17-28)24(25)26(31)30(27)18-15-21-11-5-4-6-12-21/h4-8,11-14H,2-3,9-10,15-20H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				J Med Chem 52: 369-78 (2009) Article DOI: 10.1021/jm801044g BindingDB Entry DOI: 10.7270/Q2VQ33M2
					More data for this Ligand-Target Pair