Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50356544'   

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))	BDBM50356544 (CHEMBL1909852) Show SMILES CCc1c(nn(c1-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 |(7.94,-21.87,;7.31,-23.28,;8.21,-24.52,;9.75,-24.52,;10.22,-25.99,;8.98,-26.89,;7.74,-25.98,;6.27,-26.44,;5.03,-25.51,;5.06,-23.97,;3.77,-26.39,;4.23,-27.87,;5.77,-27.89,;6.24,-29.32,;8.98,-28.42,;7.64,-29.19,;7.63,-30.73,;8.97,-31.5,;8.97,-33.04,;10.31,-30.73,;10.3,-29.19,;11.64,-28.42,;10.66,-23.28,;10.03,-21.87,;12.19,-23.44,;13.1,-22.2,;14.63,-22.37,;15.53,-21.13,;14.92,-19.72,;13.38,-19.56,;12.47,-20.8,)| Show InChI InChI=1S/C24H28Cl2N4O/c1-4-19-22(23(31)27-18-8-6-5-7-9-18)28-30(21-13-12-17(25)14-20(21)26)24(19)29-15(2)10-11-16(29)3/h10-14,18H,4-9H2,1-3H3,(H,27,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	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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