Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50451123'   

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))	BDBM50451123 (CHEMBL2114980) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2cc(ccc2C[C@H]1C(O)=O)-c1ccccc1 Show InChI InChI=1S/C27H28N2O4/c1-16-10-22(30)11-17(2)23(16)14-24(28)26(31)29-15-21-12-19(18-6-4-3-5-7-18)8-9-20(21)13-25(29)27(32)33/h3-12,24-25,30H,13-15,28H2,1-2H3,(H,32,33)/t24-,25-/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	635	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
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