Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50429844'   

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))	BDBM50429844 (CHEMBL1422818) Show SMILES O=C(NC(=S)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 |TLB:14:15:19:12.13.18,THB:14:13:19:20.15.16,16:15:12:19.17.18,16:17:12:20.15.14| Show InChI InChI=1S/C17H26N2OS/c20-15(18-16(21)19-4-2-1-3-5-19)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-14H,1-11H2,(H,18,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	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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