Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50323010'   

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 (Rattus norvegicus (rat))	BDBM50323010 (1'-(5-(4-chlorophenyl)-1-(2-cyanoethyl)-4-(2,4-dic...) Show SMILES NC(=O)C1(CCN(CC1)C(=O)c1cc(c(-c2ccc(Cl)cc2)n1CCC#N)-c1ccc(Cl)cc1Cl)N1CCCCC1 Show InChI InChI=1S/C31H32Cl3N5O2/c32-22-7-5-21(6-8-22)28-25(24-10-9-23(33)19-26(24)34)20-27(39(28)16-4-13-35)29(40)37-17-11-31(12-18-37,30(36)41)38-14-2-1-3-15-38/h5-10,19-20H,1-4,11-12,14-18H2,(H2,36,41)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-aventis R&D Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor in rat brain synaptosomal membranes				Bioorg Med Chem Lett 20: 4573-7 (2010) Article DOI: 10.1016/j.bmcl.2010.06.017 BindingDB Entry DOI: 10.7270/Q28G8KV6
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