Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM29071'   

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))	BDBM29071 (amine-based bicyclic analogue, 13) Show SMILES CC(F)(F)CN1CCc2c(C1)nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl Show InChI InChI=1S/C21H19Cl2F2N3/c1-21(24,25)13-27-11-10-16-18(12-27)26-28(19-5-3-2-4-17(19)23)20(16)14-6-8-15(22)9-7-14/h2-9H,10-13H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	30	-43.7	n/a	n/a	n/a	n/a	n/a	7.4	30
Pfizer					Assay Description IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibition c...				J Med Chem 52: 2652-5 (2009) Article DOI: 10.1021/jm900255t BindingDB Entry DOI: 10.7270/Q2F47MGD
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