Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50451127'   

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))	BDBM50451127 (CHEMBL2114986) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2c(C[C@H]1C(O)=O)cc(Br)c(O)c2Br Show InChI InChI=1S/C21H22Br2N2O5/c1-9-3-12(26)4-10(2)13(9)7-16(24)20(28)25-8-14-11(6-17(25)21(29)30)5-15(22)19(27)18(14)23/h3-5,16-17,26-27H,6-8,24H2,1-2H3,(H,29,30)/t16-,17-/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	1.24E+3	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
					More data for this Ligand-Target Pair