Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50516257'   

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))	BDBM50516257 (CHEMBL4519913) Show SMILES Fc1ccccc1NC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H24Cl2FN7O/c30-18-9-11-20(12-10-18)39-26(21-5-1-2-6-22(21)31)37-25-27(33-17-34-28(25)39)38-15-13-19(14-16-38)35-29(40)36-24-8-4-3-7-23(24)32/h1-12,17,19H,13-16H2,(H2,35,36,40)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	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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