Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50029973'   

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 2 (Homo sapiens (Human))	BDBM50029973 (CHEMBL3353447) Show SMILES CC1CCC(CC1)NC(=O)c1cc2cc(cnc2n(Cc2ccc(F)cc2)c1=O)-c1ccc(F)cc1 |(18.76,-2.03,;17.43,-2.8,;17.43,-4.34,;16.11,-5.11,;14.76,-4.34,;14.75,-2.81,;16.09,-2.04,;13.43,-5.12,;12.1,-4.36,;12.09,-2.82,;10.77,-5.14,;9.43,-4.38,;8.11,-5.15,;6.77,-4.39,;5.44,-5.16,;5.44,-6.7,;6.77,-7.47,;8.11,-6.69,;9.44,-7.46,;9.45,-9,;10.78,-9.77,;10.78,-11.3,;12.11,-12.07,;13.44,-11.3,;14.78,-12.06,;13.44,-9.75,;12.1,-8.99,;10.78,-6.69,;12.11,-7.45,;4.1,-4.39,;4.1,-2.84,;2.76,-2.07,;1.42,-2.85,;.09,-2.08,;1.43,-4.4,;2.77,-5.16,)| Show InChI InChI=1S/C29H27F2N3O2/c1-18-2-12-25(13-3-18)33-28(35)26-15-21-14-22(20-6-10-24(31)11-7-20)16-32-27(21)34(29(26)36)17-19-4-8-23(30)9-5-19/h4-11,14-16,18,25H,2-3,12-13,17H2,1H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	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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