Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50516259'   

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))	BDBM50516259 (CHEMBL4521215) Show SMILES FC(F)(F)c1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C29H23Cl2F3N8O/c30-17-5-8-20(9-6-17)42-25(21-3-1-2-4-22(21)31)40-24-26(36-16-37-27(24)42)41-13-11-18(12-14-41)38-28(43)39-19-7-10-23(35-15-19)29(32,33)34/h1-10,15-16,18H,11-14H2,(H2,38,39,43)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cell membranes				J Med Chem 62: 6330-6345 (2019) Article DOI: 10.1021/acs.jmedchem.9b00727 BindingDB Entry DOI: 10.7270/Q24F1V3D
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