Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50240354'   

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 (Rattus norvegicus (rat))	BDBM50240354 (CHEMBL274844 | N-{1-[2-(4-Isothiocyanato-phenyl)-e...) Show SMILES CCC(=O)N(C1CCN(CCc2ccc(cc2)N=C=S)CC1)c1ccccc1 Show InChI InChI=1S/C23H27N3OS/c1-2-23(27)26(21-6-4-3-5-7-21)22-13-16-25(17-14-22)15-12-19-8-10-20(11-9-19)24-18-28/h3-11,22H,2,12-17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The binding affinity was evaluated against [3H]dalamid binding to rat brain membranes (mu opiate receptors).				J Med Chem 27: 1570-4 (1985) BindingDB Entry DOI: 10.7270/Q2S18328
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