Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50323611'   

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))	BDBM50323611 ((+/-)-1-(3-(4-chlorobenzyl)-3-phenylazetidin-1-yl)...) Show SMILES CC(C)(Oc1ccc(cn1)C(F)(F)F)C(=O)N1CC(Cc2ccc(Cl)cc2)(C1)c1ccccc1 Show InChI InChI=1S/C26H24ClF3N2O2/c1-24(2,34-22-13-10-20(15-31-22)26(28,29)30)23(33)32-16-25(17-32,19-6-4-3-5-7-19)14-18-8-11-21(27)12-9-18/h3-13,15H,14,16-17H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55490 from human recombinant cannabinoid CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4757-61 (2010) Article DOI: 10.1016/j.bmcl.2010.06.127 BindingDB Entry DOI: 10.7270/Q2NK3F71
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