Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50305986'   

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))	BDBM50305986 (5,6-bis(4-chlorophenyl)-N-cyclohexylpyrazine-2-car...) Show SMILES Clc1ccc(cc1)-c1ncc(nc1-c1ccc(Cl)cc1)C(=S)NC1CCCCC1 Show InChI InChI=1S/C23H21Cl2N3S/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor assessed as stimulation of [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 479-82 (2010) Article DOI: 10.1016/j.bmcl.2009.11.125 BindingDB Entry DOI: 10.7270/Q2X34XKB
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