Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50380891'   

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))	BDBM50380891 (CHEMBL2019089) Show SMILES CCCCn1c(CCC)c(Br)cc(C(=O)NC2(CCCCC2)C(O)=O)c1=O Show InChI InChI=1S/C20H29BrN2O4/c1-3-5-12-23-16(9-4-2)15(21)13-14(18(23)25)17(24)22-20(19(26)27)10-7-6-8-11-20/h13H,3-12H2,1-2H3,(H,22,24)(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi& Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human recombinant CB1 receptor after 60 mins				Bioorg Med Chem Lett 22: 2803-6 (2012) Article DOI: 10.1016/j.bmcl.2012.02.072 BindingDB Entry DOI: 10.7270/Q2DB82VV
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