Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50320200'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50320200 (7'-(2-chlorophenyl)-6'-(4-chlorophenyl)spiro[cyclo...) Show SMILES Clc1ccc(cc1)-c1cc2C(=O)CC3(CCCCC3)Oc2nc1-c1ccccc1Cl Show InChI InChI=1S/C25H21Cl2NO2/c26-17-10-8-16(9-11-17)19-14-20-22(29)15-25(12-4-1-5-13-25)30-24(20)28-23(19)18-6-2-3-7-21(18)27/h2-3,6-11,14H,1,4-5,12-13,15H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 20: 3750-4 (2010) Article DOI: 10.1016/j.bmcl.2010.04.071 BindingDB Entry DOI: 10.7270/Q22F7NNR
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