Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50305985'   

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))	BDBM50305985 (5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)...) Show SMILES COCc1nc(-c2ccc(Cl)cc2)c(nc1C(=O)NC1CCC(F)(F)CC1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2F2N3O2/c1-34-14-20-23(24(33)30-19-10-12-25(28,29)13-11-19)32-22(16-4-8-18(27)9-5-16)21(31-20)15-2-6-17(26)7-3-15/h2-9,19H,10-14H2,1H3,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	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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