Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50083864'   

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))	BDBM50083864 (6,6,9-Trimethyl-3-(6-nitro-hex-2-ynyl)-6a,7,10,10a...) Show SMILES CC1=CCC2C(C1)c1c(O)cc(CC#CCCC[N+]([O-])=O)cc1OC2(C)C |t:1| Show InChI InChI=1S/C22H27NO4/c1-15-9-10-18-17(12-15)21-19(24)13-16(14-20(21)27-22(18,2)3)8-6-4-5-7-11-23(25)26/h9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.34	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity against Cannabinoid receptor 1.				J Med Chem 43: 59-70 (2000) BindingDB Entry DOI: 10.7270/Q2WQ0305
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