Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM21274'   

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 2 (Homo sapiens (Human))	BDBM21274 (4-methyl-N-(piperidin-1-yl)-5-(1H-pyrrol-1-yl)-1-(...) Show SMILES Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NN1CCCCC1 |(-3.54,6.58,;-2.6,5.36,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-3.02,3.89,;-4.47,3.36,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-1.75,1.48,;-3.08,.71,;-4.42,1.48,;-3.08,-.83,;-1.75,-1.6,;-1.75,-3.14,;-.42,-.83,;-.42,.71,;.92,1.48,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.93,7.3,;4.99,8.42,;4.56,9.9,;3.06,10.26,;2,9.15,)| Show InChI InChI=1S/C20H20Cl3N5O/c1-13-17(19(29)25-27-9-3-2-4-10-27)24-28(20(13)26-7-5-6-8-26)18-15(22)11-14(21)12-16(18)23/h5-8,11-12H,2-4,9-10H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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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