Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50517226'   

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))	BDBM50517226 (CHEMBL4449666) Show SMILES Cc1c(nn(c1-c1ccc(cc1)C#CCCOC(=O)CCCCC(=O)OC(C)(C)C)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C36H42Cl2N4O5/c1-25-33(35(45)40-41-21-9-5-10-22-41)39-42(30-20-19-28(37)24-29(30)38)34(25)27-17-15-26(16-18-27)12-8-11-23-46-31(43)13-6-7-14-32(44)47-36(2,3)4/h15-20,24H,5-7,9-11,13-14,21-23H2,1-4H3,(H,40,45)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1R in HEK293 cell membranes after 60 mins liquid scintillation analysis				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.126644 BindingDB Entry DOI: 10.7270/Q2QV3QW7
					More data for this Ligand-Target Pair