Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50259094'   

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))	BDBM50259094 (7-(2-chlorophenyl)-6-(4-chlorophenyl)-2-isopropylp...) Show SMILES CC(C)c1nc2nc(-c3ccccc3Cl)c(cc2c(=O)[nH]1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H17Cl2N3O/c1-12(2)20-26-21-17(22(28)27-20)11-16(13-7-9-14(23)10-8-13)19(25-21)15-5-3-4-6-18(15)24/h3-12H,1-2H3,(H,25,26,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inverse agonist activity at human cannabinoid CB1R expressed in CHO cells assessed as effect on cAMP accumulation				Bioorg Med Chem Lett 19: 2591-4 (2009) Article DOI: 10.1016/j.bmcl.2009.03.005 BindingDB Entry DOI: 10.7270/Q2PK0G1X
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