Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50418219'   

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))	BDBM50418219 (CHEMBL1760655) Show SMILES CCCOc1cccc(Cn2c(cc3cc(ccc23)C#N)C(=O)NCC(C)(C)CO)c1 Show InChI InChI=1S/C25H29N3O3/c1-4-10-31-21-7-5-6-19(12-21)15-28-22-9-8-18(14-26)11-20(22)13-23(28)24(30)27-16-25(2,3)17-29/h5-9,11-13,29H,4,10,15-17H2,1-3H3,(H,27,30)	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	1.55	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Antagonist activity against human CB1 receptor				Bioorg Med Chem Lett 21: 2034-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.019 BindingDB Entry DOI: 10.7270/Q27082PM
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