Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50306018'   

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))	BDBM50306018 (CHEMBL595460 | N-(((3R,4S)-1-(4-chloro-2-(2-fluoro...) Show SMILES C[C@H]1CN(CC[C@@H]1CNS(=O)(=O)C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccccc1F |r| Show InChI InChI=1S/C20H21ClF4N2O6S3/c1-13-12-27(9-8-14(13)11-26-36(32,33)20(23,24)25)35(30,31)18-7-6-15(21)10-19(18)34(28,29)17-5-3-2-4-16(17)22/h2-7,10,13-14,26H,8-9,11-12H2,1H3/t13-,14+/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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 20: 608-11 (2010) Article DOI: 10.1016/j.bmcl.2009.11.084 BindingDB Entry DOI: 10.7270/Q2SB45V0
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