Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50429839'   

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))	BDBM50429839 (CHEMBL2338172) Show SMILES COC(=O)c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 |TLB:10:12:15:19.18.17,THB:13:14:17:21.12.20,13:12:15.14.19:17,20:12:15:19.18.17,20:18:15:21.13.12| Show InChI InChI=1S/C19H23NO3/c1-23-17(21)15-3-2-4-16(8-15)20-18(22)19-9-12-5-13(10-19)7-14(6-12)11-19/h2-4,8,12-14H,5-7,9-11H2,1H3,(H,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor by cAMP read-out assay				Bioorg Med Chem Lett 23: 1177-81 (2013) Article DOI: 10.1016/j.bmcl.2013.01.044 BindingDB Entry DOI: 10.7270/Q2M32X3H
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