Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50221712'   

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))	BDBM50221712 (12-[2-(1,1-dimethylheptyl)phenyl]dodeca-5,8,11-tri...) Show SMILES CCCCCCC(C)(C)c1ccccc1\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)CO Show InChI InChI=1S/C30H47NO2/c1-5-6-7-19-24-30(3,4)28-22-18-17-21-27(28)20-15-13-11-9-8-10-12-14-16-23-29(33)31-26(2)25-32/h9-12,15,17-18,20-22,26,32H,5-8,13-14,16,19,23-25H2,1-4H3,(H,31,33)/b11-9-,12-10-,20-15-/t26-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	86.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Organix, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]CP55,940 from human CB1 receptor expressed in HEK293 cells				Bioorg Med Chem 15: 7850-64 (2007) Article DOI: 10.1016/j.bmc.2007.08.039 BindingDB Entry DOI: 10.7270/Q2348K3B
					More data for this Ligand-Target Pair