Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50061198'   

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))	BDBM50061198 ((R)-8,8-Dimethyl-5-pentyl-3,4,8a,9,12,12a-hexahydr...) Show SMILES CCCCCc1cc2OC(C)(C)[C@@H]3CC=CCC3c2c2OCCCc12 |c:14| Show InChI InChI=1S/C23H32O2/c1-4-5-6-10-16-15-20-21(22-17(16)12-9-14-24-22)18-11-7-8-13-19(18)23(2,3)25-20/h7-8,15,18-19H,4-6,9-14H2,1-3H3/t18?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	364	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kennesaw State University Curated by ChEMBL					Assay Description Binding affinity of the compound for cannabinoid receptor 1.				J Med Chem 40: 3312-8 (1997) Article DOI: 10.1021/jm970136g BindingDB Entry DOI: 10.7270/Q2V123WC
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