Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM29103'   

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))	BDBM29103 (dibenzothiazepine, 13) Show SMILES CCCC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1 |c:17| Show InChI InChI=1S/C23H18ClNOS/c1-2-5-20(26)16-10-13-22-19(14-16)25-23(15-8-11-17(24)12-9-15)18-6-3-4-7-21(18)27-22/h3-4,6-14H,2,5H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	-41.8	n/a	n/a	n/a	n/a	n/a	7.2	22
ACADIA Pharmaceuticals AB					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...				J Med Chem 52: 1975-82 (2009) Article DOI: 10.1021/jm801534c BindingDB Entry DOI: 10.7270/Q25Q4TFP
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