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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P22939   
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
Farnesyl diphosphate synthase


(Escherichia coli K-12)
BDBM50370779
PNG
(CHEMBL199858)
Show SMILES OC(Cn1cnc2ccccc12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 700n/an/an/an/an/an/a



University of Illinois at Urbana - Champaign

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FPPS


J Med Chem 49: 7331-41 (2006)


Article DOI: 10.1021/jm060492b
BindingDB Entry DOI: 10.7270/Q24J0HW7
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Escherichia coli K-12)
BDBM25308
PNG
((1-hydroxy-2-{imidazo[1,2-a]pyridin-3-yl}-1-phosph...)
Show SMILES OC(Cc1cnc2ccccn12)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)
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MCE
MMDB
PC cid
PC sid
PDB
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Illinois at Urbana - Champaign

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FPPS


J Med Chem 49: 7331-41 (2006)


Article DOI: 10.1021/jm060492b
BindingDB Entry DOI: 10.7270/Q24J0HW7
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Escherichia coli K-12)
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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MCE
MMDB
PC cid
PC sid
PDB
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Illinois at Urbana - Champaign

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FPPS


J Med Chem 49: 7331-41 (2006)


Article DOI: 10.1021/jm060492b
BindingDB Entry DOI: 10.7270/Q24J0HW7
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Escherichia coli K-12)
BDBM25290
PNG
(CHEMBL56073 | bisphosphonate, 39 | {1-hydroxy-3-[m...)
Show SMILES CN(CCCCc1ccccc1)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C14H25NO7P2/c1-15(11-6-5-9-13-7-3-2-4-8-13)12-10-14(16,23(17,18)19)24(20,21)22/h2-4,7-8,16H,5-6,9-12H2,1H3,(H2,17,18,19)(H2,20,21,22)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



University of Illinois at Urbana - Champaign

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FPPS


J Med Chem 49: 7331-41 (2006)


Article DOI: 10.1021/jm060492b
BindingDB Entry DOI: 10.7270/Q24J0HW7
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Escherichia coli K-12)
BDBM50476058
PNG
(CHEMBL375618)
Show SMILES Cc1cc(NC(P(O)(O)=O)P(O)(O)=O)ccn1
Show InChI InChI=1S/C7H12N2O6P2/c1-5-4-6(2-3-8-5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Illinois at Urbana - Champaign

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli FPPS


J Med Chem 49: 7331-41 (2006)


Article DOI: 10.1021/jm060492b
BindingDB Entry DOI: 10.7270/Q24J0HW7
More data for this
Ligand-Target Pair