Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50356535'   

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))	BDBM50356535 (CHEMBL1909843) Show SMILES Cc1c(nn(c1-n1cccc1Cl)-c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 |(-6.88,4,;-5.97,2.75,;-4.44,2.75,;-3.96,1.29,;-5.21,.39,;-6.45,1.29,;-7.91,.82,;-8.39,-.64,;-9.93,-.64,;-10.41,.83,;-9.16,1.73,;-9.16,3.27,;-5.21,-1.15,;-6.55,-1.91,;-6.55,-3.45,;-5.22,-4.23,;-5.22,-5.77,;-3.88,-3.45,;-3.88,-1.91,;-2.55,-1.14,;-3.53,4,;-4.15,5.4,;-2,3.83,;-1.09,5.08,;.45,5.05,;1.24,6.36,;2.78,6.33,;3.53,4.98,;5.07,4.95,;2.73,3.66,;3.47,2.31,;1.19,3.69,)| Show InChI InChI=1S/C22H15Cl5N4O/c1-12-20(21(32)28-11-13-4-6-15(24)16(25)9-13)29-31(18-7-5-14(23)10-17(18)26)22(12)30-8-2-3-19(30)27/h2-10H,11H2,1H3,(H,28,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.2	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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