Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM21262'   

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))	BDBM21262 (1-(3,4-dichlorophenyl)-N-[(3,4-dichlorophenyl)meth...) Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H16Cl4N4O/c1-13-20(21(31)27-12-14-4-6-16(23)18(25)10-14)28-30(22(13)29-8-2-3-9-29)15-5-7-17(24)19(26)11-15/h2-11H,12H2,1H3,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	-43.3	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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