Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50042886'   

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))	BDBM50042886 (CHEMBL3354542) Show SMILES CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)no1 |r,wU:10.9,18.18,wD:21.22,(49.92,-45,;49.15,-43.66,;49.92,-42.33,;50.67,-43.82,;47.61,-43.66,;46.71,-42.41,;45.25,-42.89,;43.91,-42.11,;42.58,-42.88,;42.58,-44.42,;41.24,-42.11,;41.24,-40.57,;39.92,-39.79,;38.59,-40.57,;38.59,-42.11,;39.92,-42.87,;39.91,-44.41,;41.25,-45.18,;38.58,-45.18,;38.59,-46.71,;37.26,-47.49,;35.92,-46.71,;34.59,-47.49,;35.92,-45.17,;37.25,-44.4,;45.24,-44.43,;46.7,-44.91,)| Show InChI InChI=1S/C20H31N3O4/c1-20(2,3)16-12-17(22-27-16)21-18(25)15-6-4-5-11-23(15)19(26)13-7-9-14(24)10-8-13/h12-15,24H,4-11H2,1-3H3,(H,21,22,25)/t13-,14-,15-/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	>2.00E+4	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human recombinant CB1 receptor expressing CHO cells assessed as inhibition of forskolin-induced cAMP accumulation incubated for 3...				Bioorg Med Chem Lett 25: 587-92 (2015) Article DOI: 10.1016/j.bmcl.2014.12.031 BindingDB Entry DOI: 10.7270/Q2QZ2CM5
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