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Compile Data Set for Download or QSAR

Found 3 hits with Last Name = 'gentry' and Initial = 'dr'   
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
Methionine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50112575
PNG
(2-[3-(6,8-Dibromo-1,2,3,4-tetrahydro-quinolin-4-yl...)
Show SMILES Oc1cc(NCCCNC2CCNc3c(Br)cc(Br)cc23)nc2ccccc12
Show InChI InChI=1S/C21H22Br2N4O/c22-13-10-15-17(6-9-26-21(15)16(23)11-13)24-7-3-8-25-20-12-19(28)14-4-1-2-5-18(14)27-20/h1-2,4-5,10-12,17,24,26H,3,6-9H2,(H2,25,27,28)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Methionyl-tRNA synthetase in a pyrophosphate exchange assay


J Med Chem 45: 1959-62 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z6X
More data for this
Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50112577
PNG
(2-[3-(6-Ethyl-8-iodo-1,2,3,4-tetrahydro-quinolin-4...)
Show SMILES CCc1cc(I)c2NCCC(NCCCNc3cc(O)c4ccccc4n3)c2c1
Show InChI InChI=1S/C23H27IN4O/c1-2-15-12-17-19(8-11-27-23(17)18(24)13-15)25-9-5-10-26-22-14-21(29)16-6-3-4-7-20(16)28-22/h3-4,6-7,12-14,19,25,27H,2,5,8-11H2,1H3,(H2,26,28,29)
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n/an/a 12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Staphylococcus aureus Methionyl-tRNA synthetase


J Med Chem 45: 1959-62 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z6X
More data for this
Ligand-Target Pair
Methionine--tRNA ligase, cytoplasmic


(Homo sapiens (Human))
BDBM50112576
PNG
(2-(3-(3,4-dichlorobenzylamino)propylamino)quinolin...)
Show SMILES Oc1cc(NCCCNCc2ccc(Cl)c(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C19H19Cl2N3O/c20-15-7-6-13(10-16(15)21)12-22-8-3-9-23-19-11-18(25)14-4-1-2-5-17(14)24-19/h1-2,4-7,10-11,22H,3,8-9,12H2,(H2,23,24,25)
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PC sid
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PubMed
n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Methionyl-tRNA synthetase in a pyrophosphate exchange assay


J Med Chem 45: 1959-62 (2002)


BindingDB Entry DOI: 10.7270/Q2HQ3Z6X
More data for this
Ligand-Target Pair