Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM21253'   

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))	BDBM21253 (1-(4-chlorophenyl)-3-methyl-N-(piperidin-1-yl)-5-(...) Show SMILES Cc1nn(c(c1C(=O)NN1CCCCC1)-n1cccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClN5O/c1-15-18(19(27)23-25-13-3-2-4-14-25)20(24-11-5-6-12-24)26(22-15)17-9-7-16(21)8-10-17/h5-12H,2-4,13-14H2,1H3,(H,23,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.82E+3	>-32.2	n/a	n/a	n/a	n/a	n/a	7.4	30
Sapienza Universitàadi Roma					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 51: 1560-76 (2008) Article DOI: 10.1021/jm070566z BindingDB Entry DOI: 10.7270/Q2GX48V9
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