Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50211614'   

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))	BDBM50211614 ((S)-N-(1-(4-(4-chloro-2-(2-fluoro-6-(methylamino)p...) Show SMILES CNc1cccc(F)c1S(=O)(=O)c1cc(Cl)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NS(=O)(=O)C(F)(F)F Show InChI InChI=1S/C22H19ClF4N2O6S3/c1-13(29-38(34,35)22(25,26)27)14-6-9-16(10-7-14)36(30,31)19-11-8-15(23)12-20(19)37(32,33)21-17(24)4-3-5-18(21)28-2/h3-13,28-29H,1-2H3/t13-/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	22	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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