Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50088737'   

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))	BDBM50088737 (CHEMBL275288 | N,N-Diethyl-4-[((1R,3R,5S)-8-hexyl-...) Show SMILES CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)N(c1ccccc1)c1ccc(cc1)C(=O)N(CC)CC |THB:5:6:12.11.13:8.9| Show InChI InChI=1S/C30H43N3O/c1-4-7-8-12-21-32-27-19-20-28(32)23-29(22-27)33(25-13-10-9-11-14-25)26-17-15-24(16-18-26)30(34)31(5-2)6-3/h9-11,13-18,27-29H,4-8,12,19-23H2,1-3H3/t27-,28+,29+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity of the compound was determined by inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from rat brain membranes				Bioorg Med Chem Lett 10: 1109-11 (2000) BindingDB Entry DOI: 10.7270/Q2X0668B
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