Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50296154'   

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))	BDBM50296154 (CHEMBL563830 | N-phenyl-N-(1-(phenylcarbamoyl)cycl...) Show SMILES O=C(Nc1ccccc1)C1(CCCCC1)N(C(=O)c1ccc(cc1)-n1cnnn1)c1ccccc1 Show InChI InChI=1S/C27H26N6O2/c34-25(21-14-16-23(17-15-21)32-20-28-30-31-32)33(24-12-6-2-7-13-24)27(18-8-3-9-19-27)26(35)29-22-10-4-1-5-11-22/h1-2,4-7,10-17,20H,3,8-9,18-19H2,(H,29,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd Curated by ChEMBL					Assay Description Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting				Bioorg Med Chem Lett 19: 4183-90 (2009) Article DOI: 10.1016/j.bmcl.2009.05.114 BindingDB Entry DOI: 10.7270/Q2XP75VT
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