Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50221714'   

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))	BDBM50221714 (11-[3-(5-azido-1,1-dimethylpentyl)phenoxy]undeca-5...) Show SMILES C[C@H](CO)NC(=O)CCC\C=C/C\C=C/CCOc1cccc(c1)C(C)(C)CCCCN=[N+]=[N-] Show InChI InChI=1S/C27H42N4O3/c1-23(22-32)30-26(33)17-10-8-6-4-5-7-9-13-20-34-25-16-14-15-24(21-25)27(2,3)18-11-12-19-29-31-28/h4,6-7,9,14-16,21,23,32H,5,8,10-13,17-20,22H2,1-3H3,(H,30,33)/b6-4-,9-7-/t23-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.74	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
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