Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50029972'   

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))	BDBM50029972 (CHEMBL3353448) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccco1 |(23.36,-18.24,;22.03,-19.01,;22.03,-20.55,;20.71,-21.32,;19.37,-20.55,;19.36,-19.02,;20.69,-18.24,;18.04,-21.33,;16.7,-20.57,;16.69,-19.03,;15.37,-21.34,;14.04,-20.58,;12.71,-21.36,;11.37,-20.59,;10.05,-21.36,;10.04,-22.91,;11.38,-23.68,;12.71,-22.9,;14.05,-23.67,;14.05,-25.21,;15.38,-25.97,;15.38,-27.51,;16.71,-28.28,;18.05,-27.5,;19.38,-28.27,;18.04,-25.96,;16.71,-25.2,;15.38,-22.89,;16.72,-23.66,;8.71,-20.59,;7.3,-21.22,;6.26,-20.08,;7.03,-18.74,;8.54,-19.06,)| Show InChI InChI=1S/C27H26FN3O3/c1-17-4-10-22(11-5-17)30-26(32)23-14-19-13-20(24-3-2-12-34-24)15-29-25(19)31(27(23)33)16-18-6-8-21(28)9-7-18/h2-3,6-9,12-15,17,22H,4-5,10-11,16H2,1H3,(H,30,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.44E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHE...				J Med Chem 57: 8777-91 (2014) Article DOI: 10.1021/jm500807e BindingDB Entry DOI: 10.7270/Q2QC054S
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