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BDBM124251 3-methyl-N-(6-(4-(3-methylbutanamido)phenyl)pyridin-3-yl)butanamide (31)

SMILES: CC(C)CC(=O)Nc1ccc(cc1)-c1ccc(NC(=O)CC(C)C)cn1

InChI Key: InChIKey=YOKDIOCDGHTANZ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 124251   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM124251
PNG
(3-methyl-N-(6-(4-(3-methylbutanamido)phenyl)pyridi...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1ccc(NC(=O)CC(C)C)cn1
Show InChI InChI=1S/C21H27N3O2/c1-14(2)11-20(25)23-17-7-5-16(6-8-17)19-10-9-18(13-22-19)24-21(26)12-15(3)4/h5-10,13-15H,11-12H2,1-4H3,(H,23,25)(H,24,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.65E+4n/an/an/an/an/an/a



Jiangnan University



Assay Description
IC50 values were determined by pNPP assay.


Bioorg Med Chem Lett 24: 1889-94 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.015
BindingDB Entry DOI: 10.7270/Q2PC3122
More data for this
Ligand-Target Pair