Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50296150'   

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))	BDBM50296150 (2-(1-(4-(4-chlorophenyl)-2,2,4-trimethyl-3,4-dihyd...) Show SMILES CC(N1C(=O)C2CCCCC2C1=O)C(=O)N1c2ccccc2C(C)(CC1(C)C)c1ccc(Cl)cc1 Show InChI InChI=1S/C29H33ClN2O3/c1-18(31-26(34)21-9-5-6-10-22(21)27(31)35)25(33)32-24-12-8-7-11-23(24)29(4,17-28(32,2)3)19-13-15-20(30)16-14-19/h7-8,11-16,18,21-22H,5-6,9-10,17H2,1-4H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	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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