Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50042699'   

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))	BDBM50042699 (CHEMBL3353880) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(Cl)cc2)on1 |r| Show InChI InChI=1S/C18H20ClN3O3/c1-18(2,3)14-10-15(25-21-14)20-17(24)13-8-9-16(23)22(13)12-6-4-11(19)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,20,24)/t13-/m0/s1	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	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH& Co. KG Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production after 30 mins				Bioorg Med Chem Lett 25: 581-6 (2015) Article DOI: 10.1016/j.bmcl.2014.12.019 BindingDB Entry DOI: 10.7270/Q2CN75H1
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