Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50175133'   

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))	BDBM50175133 ((5Z,8Z,11Z,14Z)-N-(3,5-dimethoxyphenethyl)icosa-5,...) Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1cc(OC)cc(OC)c1 Show InChI InChI=1S/C30H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(32)31-23-22-27-24-28(33-2)26-29(25-27)34-3/h8-9,11-12,14-15,17-18,24-26H,4-7,10,13,16,19-23H2,1-3H3,(H,31,32)/b9-8-,12-11-,15-14-,18-17-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomolecular Chemistry Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human recombinant CB1 receptor				Bioorg Med Chem Lett 16: 138-41 (2005) Article DOI: 10.1016/j.bmcl.2005.09.023 BindingDB Entry DOI: 10.7270/Q2JQ11SX
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