Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50174547'   

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 (Rattus norvegicus (rat))	BDBM50174547 (CHEMBL436120 | [6-Iodo-1-(1-methyl-piperidin-2-ylm...) Show SMILES CN1CCCCC1Cn1cc(C(=O)c2cccc3ccccc23)c2ccc(I)cc12 Show InChI InChI=1S/C26H25IN2O/c1-28-14-5-4-9-20(28)16-29-17-24(22-13-12-19(27)15-25(22)29)26(30)23-11-6-8-18-7-2-3-10-21(18)23/h2-3,6-8,10-13,15,17,20H,4-5,9,14,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern University Curated by ChEMBL					Assay Description Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55940				J Med Chem 48: 6386-92 (2005) Article DOI: 10.1021/jm050135l BindingDB Entry DOI: 10.7270/Q21V5FQ7
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