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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine--tRNA ligase, cytoplasmic' and Ligand = 'BDBM50530860'   
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
Serine--tRNA ligase, cytoplasmic


(Homo sapiens)
BDBM50530860
PNG
(CHEMBL4461782)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccccc1 |r|
Show InChI InChI=1S/C19H23N7O8S/c20-10(6-27)18(30)25-35(31,32)33-7-11-13(28)14(29)19(34-11)26-8-22-12-15(21)23-16(24-17(12)26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,19,27-29H,6-7,20H2,(H,25,30)(H2,21,23,24)/t10-,11+,13+,14+,19+/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair
Serine--tRNA ligase, cytoplasmic


(Homo sapiens)
BDBM50530860
PNG
(CHEMBL4461782)
Show SMILES N[C@@H](CO)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)-c1ccccc1 |r|
Show InChI InChI=1S/C19H23N7O8S/c20-10(6-27)18(30)25-35(31,32)33-7-11-13(28)14(29)19(34-11)26-8-22-12-15(21)23-16(24-17(12)26)9-4-2-1-3-5-9/h1-5,8,10-11,13-14,19,27-29H,6-7,20H2,(H,25,30)(H2,21,23,24)/t10-,11+,13+,14+,19+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal polyHis-tagged SerRS expressed in Escherichia coli BL21 (DE3) using Ap4A as substrate in presence of serine by leucono...


J Med Chem 62: 9703-9717 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01131
BindingDB Entry DOI: 10.7270/Q2GX4G11
More data for this
Ligand-Target Pair