Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50246588'   

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))	BDBM50246588 ((R,5Z,8Z,11Z,14Z)-19-(furan-2-yl)-N-(1-hydroxyprop...) Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCc1ccco1 |r| Show InChI InChI=1S/C26H39NO3/c1-24(23-28)27-26(29)21-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-19-25-20-18-22-30-25/h2,4-5,7-8,10-11,13,18,20,22,24,28H,3,6,9,12,14-17,19,21,23H2,1H3,(H,27,29)/b4-2-,7-5-,10-8-,13-11-/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	325	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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