Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50495636'   

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))	BDBM50495636 (CHEMBL3114172) Show SMILES CC1CCC(CC1)NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O |(26.39,-29.35,;27.93,-29.35,;28.7,-30.69,;30.24,-30.69,;31.01,-29.35,;30.24,-28.02,;28.7,-28.02,;32.55,-29.35,;33.32,-28.02,;32.55,-26.69,;34.86,-28.02,;35.63,-26.69,;37.17,-26.69,;37.94,-28.02,;37.17,-29.35,;37.94,-30.69,;39.48,-30.69,;40.25,-29.35,;41.79,-29.35,;42.56,-30.69,;44.1,-30.69,;41.79,-32.03,;40.25,-32.03,;35.63,-29.35,;34.86,-30.69,)| Show InChI InChI=1S/C20H23FN2O2/c1-14-4-10-17(11-5-14)22-19(24)18-3-2-12-23(20(18)25)13-15-6-8-16(21)9-7-15/h2-3,6-9,12,14,17H,4-5,10-11,13H2,1H3,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins				Eur J Med Chem 74: 524-32 (2014) Article DOI: 10.1016/j.ejmech.2013.10.070 BindingDB Entry DOI: 10.7270/Q21V5HXR
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