Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50350965'   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50350965 (CHEMBL1818226) Show SMILES O=S(=O)(N1CCCC1)c1cccnc1-c1ccc(CN2C[C@H]3C[C@@H]2CCC3)cc1 |r| Show InChI InChI=1S/C23H29N3O2S/c27-29(28,26-13-1-2-14-26)22-7-4-12-24-23(22)20-10-8-18(9-11-20)16-25-17-19-5-3-6-21(25)15-19/h4,7-12,19,21H,1-3,5-6,13-17H2/t19-,21+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting				J Med Chem 54: 5868-77 (2011) Article DOI: 10.1021/jm2006035 BindingDB Entry DOI: 10.7270/Q2X63NBJ
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