Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50379699'   

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))	BDBM50379699 (CHEMBL2010909) Show SMILES CCCNC(=O)c1c(NC(=O)c2c(F)cccc2C(F)(F)F)sc2COCCc12 Show InChI InChI=1S/C19H18F4N2O3S/c1-2-7-24-16(26)14-10-6-8-28-9-13(10)29-18(14)25-17(27)15-11(19(21,22)23)4-3-5-12(15)20/h3-5H,2,6-9H2,1H3,(H,24,26)(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells after 90 mins				Bioorg Med Chem Lett 22: 2604-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.121 BindingDB Entry DOI: 10.7270/Q2FN1765
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