Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50211620'   

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))	BDBM50211620 ((S)-trifluoro-N-(1-(4-(2-(2-fluorophenylsulfonyl)-...) Show SMILES C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(cc1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccccc1F Show InChI InChI=1S/C22H16F7NO7S3/c1-13(30-40(35,36)22(27,28)29)14-6-9-16(10-7-14)38(31,32)19-11-8-15(37-21(24,25)26)12-20(19)39(33,34)18-5-3-2-4-17(18)23/h2-13,30H,1H3/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	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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