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Compile Data Set for Download or QSAR

Found 5 hits of ki data for polymerid = 50003805,50006691,50006692,50006693   
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
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50026326
PNG
(CHEMBL3305928)
Show SMILES CCCCOP(O)(=O)C(C)=O
Show InChI InChI=1S/C6H13O4P/c1-3-4-5-10-11(8,9)6(2)7/h3-5H2,1-2H3,(H,8,9)
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.00E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Escherichia coli O127:H6 (strain E2348/69 / EPEC))
BDBM50026326
PNG
(CHEMBL3305928)
Show SMILES CCCCOP(O)(=O)C(C)=O
Show InChI InChI=1S/C6H13O4P/c1-3-4-5-10-11(8,9)6(2)7/h3-5H2,1-2H3,(H,8,9)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
5.60E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Escherichia coli O127:H6 (strain E2348/69 / EPEC))
BDBM50026312
PNG
(CHEMBL3306297)
Show SMILES CCOP(O)(=O)C(C)=O
Show InChI InChI=1S/C4H9O4P/c1-3-8-9(6,7)4(2)5/h3H2,1-2H3,(H,6,7)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.70E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Escherichia coli O127:H6 (strain E2348/69 / EPEC))
BDBM50026348
PNG
(CHEMBL3359030)
Show SMILES CC(=O)P(O)(=O)OCc1ccccc1
Show InChI InChI=1S/C9H11O4P/c1-8(10)14(11,12)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.04E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Haemophilus influenzae (strain 86-028NP))
BDBM50026349
PNG
(KETOCLOMAZONE)
Show SMILES CC1(C)C(=O)ON(Cc2ccccc2Cl)C1=O
Show InChI InChI=1S/C12H12ClNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.33E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae DXS


J Med Chem 57: 9740-63 (2014)


Article DOI: 10.1021/jm5010978
BindingDB Entry DOI: 10.7270/Q29K4CVJ
More data for this
Ligand-Target Pair