Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50101618'   

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))	BDBM50101618 (Acetic acid 2-[2-amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES CC(=O)OC[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C Show InChI InChI=1S/C23H28N2O4/c1-14-8-20(27)9-15(2)21(14)11-22(24)23(28)25-12-18-7-5-4-6-17(18)10-19(25)13-29-16(3)26/h4-9,19,22,27H,10-13,24H2,1-3H3/t19-,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montreal Curated by ChEMBL					Assay Description Agonist potency using GTP-gamma [35S]- binding assay for mu-opioid receptor				J Med Chem 44: 2387-90 (2001) BindingDB Entry DOI: 10.7270/Q25B01RW
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