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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ketopantoate reductase' and Ligand = 'BDBM18137'   
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
Ketopantoate reductase


(Escherichia coli (strain K12))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
6.30E+6n/an/an/an/an/an/an/an/a



University Chemical Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli KPR


J Med Chem 49: 4992-5000 (2006)


Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN
More data for this
Ligand-Target Pair
Ketopantoate reductase


(Escherichia coli (strain K12))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEBI
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a>5.00E+6n/an/an/an/an/a



University Chemical Laboratory

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli KPR


J Med Chem 49: 4992-5000 (2006)


Article DOI: 10.1021/jm060490r
BindingDB Entry DOI: 10.7270/Q28S4QQN
More data for this
Ligand-Target Pair