Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM21271'   

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))	BDBM21271 (1-(2,4-difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...) Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NN1CCCCC1 |(-6.12,5.75,;-5.72,4.27,;-6.96,3.36,;-6.49,1.9,;-4.95,1.9,;-4.55,.41,;-4.47,3.36,;-3.02,3.89,;-2.6,5.36,;-3.54,6.58,;-1.06,5.42,;-.53,3.97,;-1.75,3.02,;-1.75,1.48,;-3.08,.71,;-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,;2.68,7.35,;4.06,6.67,;5.34,7.52,;5.24,9.06,;3.86,9.74,;2.57,8.89,)| Show InChI InChI=1S/C22H25F2N5O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-27-11-5-4-6-12-27)25-29(22)19-10-9-17(23)13-18(19)24/h7-10,13H,4-6,11-12H2,1-3H3,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	-33.6	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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