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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Taq polymerase 1' and Monomerid = 50253655   
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
Taq polymerase 1


(Thermus aquaticus)
BDBM50253655
PNG
((S)-2-Amino-N-({6-[2-((S)-2-amino-propionylamino)-...)
Show SMILES C[C@H](N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@H](C)N)ccc3C(=O)c2c1
Show InChI InChI=1S/C24H26N6O6/c1-11(25)23(35)27-9-19(31)29-13-3-5-15-17(7-13)21(33)16-6-4-14(8-18(16)22(15)34)30-20(32)10-28-24(36)12(2)26/h3-8,11-12H,9-10,25-26H2,1-2H3,(H,27,35)(H,28,36)(H,29,31)(H,30,32)/t11-,12-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>4.00E+4n/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Taq polymerase


J Med Chem 51: 5566-74 (2008)


Article DOI: 10.1021/jm800160v
BindingDB Entry DOI: 10.7270/Q2R78F1Q
More data for this
Ligand-Target Pair