Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50211640'   

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))	BDBM50211640 ((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(cc1S(=O)(=O)c1ccccc1F)N1CCNCC1 Show InChI InChI=1S/C25H25F4N3O6S3/c1-17(31-41(37,38)25(27,28)29)18-6-9-20(10-7-18)39(33,34)23-11-8-19(32-14-12-30-13-15-32)16-24(23)40(35,36)22-5-3-2-4-21(22)26/h2-11,16-17,30-31H,12-15H2,1H3/t17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	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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