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Compile Data Set for Download or QSAR

Found 4 hits of ic50 for UniProtKB: P00956   
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
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM50366869
PNG
(CHEMBL603510)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C16H25N7O7S/c1-3-7(2)9(17)15(26)22-31(27,28)29-4-8-11(24)12(25)16(30-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-9,11-12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t7-,8+,9-,11+,12+,16?/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 265n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Ile-tRNA synthetase


Bioorg Med Chem Lett 15: 3389-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.035
BindingDB Entry DOI: 10.7270/Q28G8MGP
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM50168733
PNG
((1S,2S)-1-[(2R,5R)-5-(6-Amino-purin-9-yl)-tetrahyd...)
Show SMILES CC[C@H](C)[C@H]([NH3+])C(=O)NS(=O)(=O)O[C@@H]1CC[C@@H](O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O5S/c1-3-8(2)11(16)15(23)21-28(24,25)27-10-5-4-9(26-10)22-7-20-12-13(17)18-6-19-14(12)22/h6-11H,3-5,16H2,1-2H3,(H,21,23)(H2,17,18,19)/p+1/t8-,9+,10+,11-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Ile-tRNA synthetase


Bioorg Med Chem Lett 15: 3389-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.035
BindingDB Entry DOI: 10.7270/Q28G8MGP
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM50370456
PNG
(CHEMBL1789970)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)O[C@@H]1C[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O6S/c1-3-7(2)10(16)14(24)21-29(25,26)28-9-4-8(23)15(27-9)22-6-20-11-12(17)18-5-19-13(11)22/h5-10,15,23H,3-4,16H2,1-2H3,(H,21,24)(H2,17,18,19)/t7-,8+,9+,10-,15+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Ile-tRNA synthetase


Bioorg Med Chem Lett 15: 3389-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.035
BindingDB Entry DOI: 10.7270/Q28G8MGP
More data for this
Ligand-Target Pair
tRNA synthetase (IleRS)


(Escherichia coli)
BDBM50370457
PNG
(CHEMBL1789972)
Show SMILES CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)O[C@H]1O[C@H](C[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C15H23N7O6S/c1-3-7(2)10(16)14(24)21-29(25,26)28-15-8(23)4-9(27-15)22-6-20-11-12(17)18-5-19-13(11)22/h5-10,15,23H,3-4,16H2,1-2H3,(H,21,24)(H2,17,18,19)/t7-,8-,9+,10-,15+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Ile-tRNA synthetase


Bioorg Med Chem Lett 15: 3389-93 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.035
BindingDB Entry DOI: 10.7270/Q28G8MGP
More data for this
Ligand-Target Pair