Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50084983'   

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))	BDBM50084983 ((S)-2-[2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...) Show SMILES COc1ccc(cc1)-c1cc2C[C@H](N(Cc2cc1OC)C(=O)C(N)Cc1c(C)cc(O)cc1C)C(O)=O Show InChI InChI=1S/C29H32N2O6/c1-16-9-21(32)10-17(2)23(16)14-25(30)28(33)31-15-20-13-27(37-4)24(11-19(20)12-26(31)29(34)35)18-5-7-22(36-3)8-6-18/h5-11,13,25-26,32H,12,14-15,30H2,1-4H3,(H,34,35)/t25?,26-/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	4.64E+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