Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50340997'   

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))	BDBM50340997 (CHEMBL1762416 | N-(3-tert-butyl-1H-pyrazol-5-yl)-4...) Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)C2CCOCC2)[nH]n1 Show InChI InChI=1S/C19H31N5O3/c1-19(2,3)15-13-16(22-21-15)20-18(26)24-8-4-7-23(9-10-24)17(25)14-5-11-27-12-6-14/h13-14H,4-12H2,1-3H3,(H2,20,21,22,26)	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	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor transfected in CHO cells assessed as inhibition of forskolin-stimulated cAMP production				Bioorg Med Chem Lett 21: 2011-6 (2011) Article DOI: 10.1016/j.bmcl.2011.02.017 BindingDB Entry DOI: 10.7270/Q2KK9C2M
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