Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50341002'   

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))	BDBM50341002 (CHEMBL1762421 | cis-N-(5-tert-butylisoxazol-3-yl)-...) Show SMILES CC(C)(C)c1cc(NC(=O)N2CCCN(CC2)C(=O)[C@@H]2CC[C@H](O)CC2)no1 |r,wU:19.19,22.23,(28.39,-33.64,;27.16,-32.72,;27.34,-31.19,;28.48,-31.94,;25.75,-33.33,;24.42,-32.55,;23.26,-33.57,;21.76,-33.23,;20.72,-34.37,;21.18,-35.84,;19.22,-34.03,;18.87,-32.54,;17.47,-31.89,;16.06,-32.63,;15.8,-34.11,;16.75,-35.29,;18.23,-35.29,;14.31,-34.49,;13.89,-35.98,;13.23,-33.39,;13.65,-31.91,;12.58,-30.82,;11.09,-31.19,;10.02,-30.09,;10.67,-32.68,;11.75,-33.78,;23.88,-34.98,;25.41,-34.84,)| Show InChI InChI=1S/C20H32N4O4/c1-20(2,3)16-13-17(22-28-16)21-19(27)24-10-4-9-23(11-12-24)18(26)14-5-7-15(25)8-6-14/h13-15,25H,4-12H2,1-3H3,(H,21,22,27)/t14-,15+	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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