Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50213474'   

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))	BDBM50213474 (CHEMBL247712 | N-(2-hydroxyethyl)-5,6-dip-tolylpyr...) Show SMILES Cc1ccc(cc1)-c1ncc(nc1-c1ccc(C)cc1)C(=O)NCCO Show InChI InChI=1S/C21H21N3O2/c1-14-3-7-16(8-4-14)19-20(17-9-5-15(2)6-10-17)24-18(13-23-19)21(26)22-11-12-25/h3-10,13,25H,11-12H2,1-2H3,(H,22,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	8.43E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 17: 3978-82 (2007) Article DOI: 10.1016/j.bmcl.2007.04.087 BindingDB Entry DOI: 10.7270/Q2FN15XR
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