Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50290894'   

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 (GUINEA PIG)	BDBM50290894 ((S)-2-[(2S,3R)-2-Amino-3-(4-hydroxy-2,6-dimethyl-p...) Show SMILES C[C@@H]([C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O)c1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C22H26N2O4/c1-12-8-17(25)9-13(2)19(12)14(3)20(23)21(26)24-11-16-7-5-4-6-15(16)10-18(24)22(27)28/h4-9,14,18,20,25H,10-11,23H2,1-3H3,(H,27,28)/t14-,18+,20+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was evaluated for the binding affinity towards mu-opioid receptor by displacement of [3H]-DAMGO radioligand from guinea pig ileum				Bioorg Med Chem Lett 7: 3049-3052 (1997) Article DOI: 10.1016/S0960-894X(97)10145-7 BindingDB Entry DOI: 10.7270/Q2H13211
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