Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM21267'   

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))	BDBM21267 (1-(2,4-difluorophenyl)-4-methyl-N-(piperidin-1-yl)...) Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(F)cc1F)C(=O)NN1CCCCC1 Show InChI InChI=1S/C20H21F2N5O/c1-14-18(19(28)24-26-11-3-2-4-12-26)23-27(20(14)25-9-5-6-10-25)17-8-7-15(21)13-16(17)22/h5-10,13H,2-4,11-12H2,1H3,(H,24,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80E+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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