Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM21254'   

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))	BDBM21254 (1-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-...) Show SMILES Cc1nn(c(c1C(=O)NCc1ccc(Cl)c(Cl)c1)-n1cccc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H17Cl3N4O/c1-14-20(21(30)26-13-15-4-9-18(24)19(25)12-15)22(28-10-2-3-11-28)29(27-14)17-7-5-16(23)6-8-17/h2-12H,13H2,1H3,(H,26,30)	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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