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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50131833   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50131833
PNG
(CHEMBL3632912)
Show SMILES OC(=O)c1ccc(NC(=O)Cn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O
Show InChI InChI=1S/C43H41N7O10S/c51-36-20-31(15-17-34(36)42(55)56)45-39(53)25-48-23-32(46-47-48)24-49(61(59,60)38-10-4-8-30-9-5-19-44-41(30)38)26-40(54)50(33-16-18-35(43(57)58)37(52)21-33)22-27-11-13-29(14-12-27)28-6-2-1-3-7-28/h4-5,8-21,23,28,51-52H,1-3,6-7,22,24-26H2,(H,45,53)(H,55,56)(H,57,58)
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Similars
Article
PubMed
 1.83E+3n/an/an/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test

ACS Med Chem Lett 6: 982-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00171
BindingDB Entry DOI: 10.7270/Q2542QDC
More data for this
Ligand-Target Pair