Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50247147'   

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))	BDBM50247147 ((R,5Z,8Z,11Z,14Z)-19-(4-bromophenyl)-N-(1-hydroxyp...) Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCc1ccc(Br)cc1 |r| Show InChI InChI=1S/C28H40BrNO2/c1-25(24-31)30-28(32)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-26-20-22-27(29)23-21-26/h2,4-5,7-8,10-11,13,20-23,25,31H,3,6,9,12,14-19,24H2,1H3,(H,30,32)/b4-2-,7-5-,10-8-,13-11-/t25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from cannabinoid CB1 receptor in rat brain membrane in presence of phenylmethanesulfonyl fluoride				Bioorg Med Chem Lett 18: 5912-5 (2008) Article DOI: 10.1016/j.bmcl.2008.07.110 BindingDB Entry DOI: 10.7270/Q22R3RGB
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