Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50211622'   

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))	BDBM50211622 ((S)-N-(1-(4-(4-chloro-2-(2-methylfuran-3-ylsulfony...) Show SMILES C[C@H](NS(C)(=O)=O)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1S(=O)(=O)c1ccoc1C Show InChI InChI=1S/C20H20ClNO7S3/c1-13(22-30(3,23)24)15-4-7-17(8-5-15)31(25,26)19-9-6-16(21)12-20(19)32(27,28)18-10-11-29-14(18)2/h4-13,22H,1-3H3/t13-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	129	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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