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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50011725   
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
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50458119
PNG
(Leusa)
Show SMILES CC(C)C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Show InChI InChI=1S/C16H25N7O7S/c1-7(2)3-8(17)15(26)22-31(27,28)29-4-9-11(24)12(25)16(30-9)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)/t8-,9+,11+,12+,16+/m0/s1
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MCE
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of catalytic activity of LRS (unknown origin) by aminoleucylation assay


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QR51RW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50550346
PNG
(CHEMBL4558130)
Show SMILES CC(C)[C@@H](O)[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of catalytic activity of LRS (unknown origin) by aminoleucylation assay


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QR51RW
More data for this
Ligand-Target Pair
Leucine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50550345
PNG
(CHEMBL4104169)
Show SMILES CC(C)C[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(I)nc12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 337n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of catalytic activity of LRS (unknown origin) by aminoleucylation assay


Citation and Details

BindingDB Entry DOI: 10.7270/Q2QR51RW
More data for this
Ligand-Target Pair