Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50292280'   

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))	BDBM50292280 (CHEMBL4168970) Show SMILES CC(=O)N1CCN(CC1)c1ncnc2oc(nc12)-c1ccccc1Cl Show InChI InChI=1S/C17H16ClN5O2/c1-11(24)22-6-8-23(9-7-22)15-14-17(20-10-19-15)25-16(21-14)12-4-2-3-5-13(12)18/h2-5,10H,6-9H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB1 expressed in CHO cells after 90 mins by TopCount scintillation counting method				Eur J Med Chem 146: 68-78 (2018) Article DOI: 10.1016/j.ejmech.2018.01.034 BindingDB Entry DOI: 10.7270/Q2N58PXN
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