Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50356545'   

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))	BDBM50356545 (CHEMBL1909853) Show SMILES CCc1ccc(CC)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)c(Cl)c1 |(16.16,-22.57,;17.49,-23.36,;17.46,-24.9,;16.2,-25.79,;16.65,-27.26,;18.19,-27.28,;19.08,-28.54,;18.43,-29.94,;18.69,-25.83,;20.17,-25.38,;20.64,-23.92,;19.74,-22.67,;22.18,-23.92,;22.65,-25.38,;21.41,-26.28,;21.4,-27.82,;20.07,-28.58,;20.06,-30.12,;21.4,-30.9,;21.4,-32.44,;22.74,-30.12,;24.07,-30.89,;22.73,-28.58,;23.09,-22.67,;22.46,-21.27,;24.62,-22.84,;25.53,-21.59,;27.07,-21.59,;27.84,-22.92,;29.38,-22.92,;30.15,-21.58,;31.69,-21.58,;29.37,-20.25,;30.13,-18.91,;27.83,-20.25,)| Show InChI InChI=1S/C26H24Cl4N4O/c1-4-17-7-8-18(5-2)33(17)26-15(3)24(32-34(26)19-9-11-21(28)23(30)13-19)25(35)31-14-16-6-10-20(27)22(29)12-16/h6-13H,4-5,14H2,1-3H3,(H,31,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	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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