Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50497846'   

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))	BDBM50497846 (CHEMBL3319091) Show SMILES CC(=O)N[C@H](Cc1c(C)[nH]c2c(Br)cccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C25H28BrN5O4/c1-14-18(17-9-6-10-19(26)23(17)29-14)12-21(30-15(2)32)25(35)31-20(24(34)28-13-22(27)33)11-16-7-4-3-5-8-16/h3-10,20-21,29H,11-13H2,1-2H3,(H2,27,33)(H,28,34)(H,30,32)(H,31,35)/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	4	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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