Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50217221'   

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))	BDBM50217221 (CHEMBL376767 | N-{(1S,2S)-2-(3-cyano-5-fluoropheny...) Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(OCCF)cc1)c1cc(F)cc(c1)C#N Show InChI InChI=1S/C29H28F5N3O3/c1-18(37-27(38)28(2,3)40-26-9-6-22(17-36-26)29(32,33)34)25(21-12-20(16-35)13-23(31)15-21)14-19-4-7-24(8-5-19)39-11-10-30/h4-9,12-13,15,17-18,25H,10-11,14H2,1-3H3,(H,37,38)/t18-,25+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human recombinant CB1R expressed in CHO cells				J Med Chem 50: 3427-30 (2007) Article DOI: 10.1021/jm070131b BindingDB Entry DOI: 10.7270/Q2Z037VJ
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