Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50100984'   

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))	BDBM50100984 (CHEMBL3325745) Show SMILES CN(C)[C@@]1(CC[C@](O)(CC1)c1ccccc1)c1ccccc1 |r,wU:3.2,wD:6.10,(17.61,-7.23,;16.27,-6.46,;16.27,-4.92,;14.94,-7.24,;14.17,-5.91,;12.62,-5.91,;11.86,-7.24,;10.52,-6.48,;12.63,-8.57,;14.17,-8.57,;10.53,-8.02,;9.2,-7.25,;7.87,-8.02,;7.87,-9.56,;9.22,-10.33,;10.54,-9.55,;15.74,-8.56,;14.99,-9.9,;15.79,-11.22,;17.33,-11.19,;18.07,-9.83,;17.27,-8.52,)| Show InChI InChI=1S/C20H25NO/c1-21(2)19(17-9-5-3-6-10-17)13-15-20(22,16-14-19)18-11-7-4-8-12-18/h3-12,22H,13-16H2,1-2H3/t19-,20+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacokinetics Curated by ChEMBL					Assay Description Displacement of [3H]Naloxone from human mu opioid receptor receptor expressed in CHO-K1 cells after 90 mins				ACS Med Chem Lett 5: 851-6 (2014) Article DOI: 10.1021/ml500116x BindingDB Entry DOI: 10.7270/Q28S4RPM
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