Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50211626'   

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))	BDBM50211626 ((S)-N-(1-(4-(4-chloro-2-(2-fluorophenylsulfonyl)ph...) Show SMILES C[C@H](NCC(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C22H18ClF4NO4S2/c1-14(28-13-22(25,26)27)15-6-9-17(10-7-15)33(29,30)20-11-8-16(23)12-21(20)34(31,32)19-5-3-2-4-18(19)24/h2-12,14,28H,13H2,1H3/t14-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to CB1 receptor				Bioorg Med Chem Lett 17: 3760-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.028 BindingDB Entry DOI: 10.7270/Q2HQ3ZKV
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