Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50165676'   

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))	BDBM50165676 (CHEMBL3799406) Show SMILES COc1c(Cc2ccc(F)cc2)cc(cc1C(=O)N[C@H]1CC[C@H](C)CC1)-c1ccc(F)cc1 |r,wU:22.24,wD:19.20,(-3.74,.92,;-2.67,1.54,;-1.33,.77,;,1.54,;0,3.08,;1.34,3.85,;1.34,5.39,;2.68,6.15,;4.01,5.38,;5.08,5.99,;4.01,3.84,;2.67,3.07,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-5.33,-3.09,;-6.66,-3.86,;-6.66,-5.4,;-7.73,-6.01,;-5.33,-6.17,;-4,-5.4,;2.67,-1.54,;4,-.77,;5.34,-1.54,;5.33,-3.08,;6.4,-3.7,;4,-3.85,;2.67,-3.08,)| Show InChI InChI=1S/C11H15NO7/c13-4-7-8(14)9(15)10(16)11(18-7)19-12-3-6-1-2-17-5-6/h1-3,5,7-11,13-16H,4H2/b12-3+/t7?,8?,9-,10?,11-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.85E+3	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]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs				Eur J Med Chem 116: 252-266 (2016) Article DOI: 10.1016/j.ejmech.2016.03.072 BindingDB Entry DOI: 10.7270/Q2DJ5HHP
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