Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM29099'   

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))	BDBM29099 (dibenzothiazepine, 12g) Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl |c:19| Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.0	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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