Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50356537'   

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))	BDBM50356537 (CHEMBL1909845) Show SMILES Cc1c(nn(c1-n1c(Cl)ccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(17.83,4.94,;18.73,3.7,;20.27,3.69,;20.74,2.23,;19.49,1.33,;18.25,2.23,;16.79,1.76,;15.54,2.67,;15.54,4.21,;14.29,1.77,;14.77,.31,;16.31,.3,;17.21,-.95,;19.49,-.21,;18.15,-.97,;18.15,-2.51,;19.48,-3.29,;19.48,-4.83,;20.82,-2.51,;20.82,-.97,;22.15,-.2,;21.17,4.94,;20.55,6.35,;22.7,4.78,;23.61,6.02,;25.15,5.99,;25.94,7.3,;27.48,7.27,;28.23,5.92,;29.77,5.89,;27.43,4.6,;28.17,3.25,;25.89,4.63,)| Show InChI InChI=1S/C22H14Cl6N4O/c1-11-20(21(33)29-10-12-2-4-14(24)15(25)8-12)30-32(17-5-3-13(23)9-16(17)26)22(11)31-18(27)6-7-19(31)28/h2-9H,10H2,1H3,(H,29,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universit£ di Roma Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from recombinant human CB1 receptor expressed in HEK cells				Eur J Med Chem 46: 5641-53 (2011) Article DOI: 10.1016/j.ejmech.2011.09.037 BindingDB Entry DOI: 10.7270/Q2P55NXD
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