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SMILES: C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CNC1=O)[C@@H](Nc1ccccc1)c1ccccc1

InChI Key: InChIKey=SUQPBRUREPGTHM-TYFMXVJSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50331864   
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
Low molecular weight protein-tyrosine phosphatase A


(Mycobacterium tuberculosis)		BDBM50331864
PNG
(3,6,9-Trimethyl-12-(phenyl-phenylamino-methyl)-1,4...)
Show SMILES C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CNC1=O)[C@@H](Nc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H31N5O4/c1-15-22(31)26-14-20(25(34)29-17(3)24(33)28-16(2)23(32)27-15)21(18-10-6-4-7-11-18)30-19-12-8-5-9-13-19/h4-13,15-17,20-21,30H,14H2,1-3H3,(H,26,31)(H,27,32)(H,28,33)(H,29,34)/t15-,16-,17-,20+,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.99E+5n/an/an/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant protein tyrosine phosphatase A by Lineweaver-Burk plot analysis

Bioorg Med Chem 18: 8365-73 (2010)


Article DOI: 10.1016/j.bmc.2010.09.052
BindingDB Entry DOI: 10.7270/Q28S4Q5G
More data for this
Ligand-Target Pair