Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50497852'   

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))	BDBM50497852 (CHEMBL3319089) Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C24H26N6O6/c1-14(31)28-21(10-16-12-26-19-8-7-17(30(35)36)11-18(16)19)24(34)29-20(23(33)27-13-22(25)32)9-15-5-3-2-4-6-15/h2-8,11-12,20-21,26H,9-10,13H2,1H3,(H2,25,32)(H,27,33)(H,28,31)(H,29,34)/t20-,21+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK293 cells by scintillation counting				J Med Chem 57: 6861-6 (2014) Article DOI: 10.1021/jm5002925 BindingDB Entry DOI: 10.7270/Q2MS3WRW
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