Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50160431'   

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))	BDBM50160431 (CHEMBL361957 | N-((S)-1-{4-[4-Methoxy-2-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(cc1)[C@H](C)NC(=O)Cc1ccccc1 Show InChI InChI=1S/C30H29NO7S2/c1-21(31-30(32)19-22-7-5-4-6-8-22)23-9-14-26(15-10-23)39(33,34)28-18-13-25(38-3)20-29(28)40(35,36)27-16-11-24(37-2)12-17-27/h4-18,20-21H,19H2,1-3H3,(H,31,32)/t21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	478	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity for cannabinoid receptor 1				Bioorg Med Chem Lett 15: 783-6 (2005) Article DOI: 10.1016/j.bmcl.2004.11.007 BindingDB Entry DOI: 10.7270/Q2MW2GN7
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