Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM21275'   

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))	BDBM21275 (N-[(3,4-dichlorophenyl)methyl]-4-methyl-5-(1H-pyrr...) Show SMILES Cc1c(nn(c1-n1cccc1)-c1c(Cl)cc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-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,;-5.48,4.52,;-6.9,3.92,;-6.77,2.39,;-5.27,2.04,;-1.35,1.53,;.18,1.67,;.83,3.06,;1.07,.41,;.42,-.99,;1.3,-2.25,;-1.12,-1.12,;-2,.14,;-3.49,-.26,;-.19,6.69,;-.87,8.08,;1.34,6.58,;2.43,7.67,;3.97,7.67,;4.81,6.38,;6.35,6.46,;7.05,7.83,;8.58,7.92,;6.21,9.12,;6.9,10.5,;4.67,9.04,)| Show InChI InChI=1S/C22H15Cl5N4O/c1-12-19(21(32)28-11-13-4-5-15(24)16(25)8-13)29-31(22(12)30-6-2-3-7-30)20-17(26)9-14(23)10-18(20)27/h2-10H,11H2,1H3,(H,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	280	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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