Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50030084'   

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))	BDBM50030084 (CHEMBL3353430) Show SMILES CCOC(=O)CCn1c2ncccc2cc(C(=O)NC2CCC(C)CC2)c1=O |(14.41,-27,;14.41,-28.54,;15.74,-29.31,;17.08,-28.54,;18.41,-29.3,;17.07,-27,;15.74,-26.23,;15.73,-24.69,;14.4,-23.92,;13.07,-24.7,;11.73,-23.93,;11.73,-22.38,;13.06,-21.61,;14.4,-22.38,;15.72,-21.6,;17.06,-22.36,;18.39,-21.59,;18.38,-20.05,;19.73,-22.35,;21.06,-21.57,;22.4,-22.34,;23.72,-21.57,;23.72,-20.03,;25.05,-19.26,;22.38,-19.26,;21.05,-20.04,;17.07,-23.91,;18.41,-24.68,)| Show InChI InChI=1S/C21H27N3O4/c1-3-28-18(25)10-12-24-19-15(5-4-11-22-19)13-17(21(24)27)20(26)23-16-8-6-14(2)7-9-16/h4-5,11,13-14,16H,3,6-10,12H2,1-2H3,(H,23,26)	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
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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