Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50392281'   

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))	BDBM50392281 (CHEMBL2153649) Show SMILES CN=C(NS(=O)(=O)c1ccc(cc1)C(O)=O)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1 |w:1.0,c:20| Show InChI InChI=1S/C24H21ClN4O4S/c1-26-24(28-34(32,33)20-13-9-18(10-14-20)23(30)31)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-11-19(25)12-8-17/h2-14,21H,15H2,1H3,(H,26,28)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jenrin Discovery Curated by ChEMBL					Assay Description Displacement of 3[H]ligand from recombinant human CB1 receptor				Bioorg Med Chem Lett 22: 6173-80 (2012) Article DOI: 10.1016/j.bmcl.2012.08.004 BindingDB Entry DOI: 10.7270/Q2BV7HR2
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