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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aminoacyl-tRNA synthetase' and Ligand = 'BDBM50097096'   
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
Aminoacyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097096
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-13-14(17(21)22)8-15(20-16(9)13)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
PDB
MMDB

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PC cid
PC sid
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5.10n/an/an/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Aminoacyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097096
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-13-14(17(21)22)8-15(20-16(9)13)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
PDB
MMDB

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PC cid
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15n/an/an/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 3 receptor


Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair
Aminoacyl-tRNA synthetase


(Homo sapiens (Human))
BDBM50097096
PNG
(2-(4-Bromo-phenyl)-6-chloro-8-methyl-quinoline-4-c...)
Show SMILES Cc1cc(Cl)cc2c(cc(nc12)-c1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C17H11BrClNO2/c1-9-6-12(19)7-13-14(17(21)22)8-15(20-16(9)13)10-2-4-11(18)5-3-10/h2-8H,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Cubist Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Aminoacylation activity against human prolyl-tRNA synthetase


Bioorg Med Chem Lett 11: 541-4 (2001)


BindingDB Entry DOI: 10.7270/Q2Q23ZH8
More data for this
Ligand-Target Pair