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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'kyoung jeon' and Initial = 'h'   
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
HTH-type transcriptional regulator EthR


(Mycobacterium smegmatis (strain ATCC 700084 / mc(2...)
BDBM50395186
PNG
(CHEMBL1612418)
Show SMILES Cc1ccc(cc1)-n1nc2ccc(NC(=O)COc3ccccc3C)cc2n1
Show InChI InChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition at EthR in Mycobacterium smegmatis mc2 155 assessed as reactivation of beta-glucuronidase activity measured over 48 hrs by Spectrophotomet...


J Med Chem 55: 6391-402 (2012)


Article DOI: 10.1021/jm300377g
BindingDB Entry DOI: 10.7270/Q2S183MF
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50395182
PNG
(CHEMBL2163975)
Show SMILES COc1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C15H14ClNO3/c1-19-13-3-2-4-14(9-13)20-10-15(18)17-12-7-5-11(16)6-8-12/h2-9H,10H2,1H3,(H,17,18)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR in Mycobacterium tuberculosis H37Rv-GFP infected in mouse Raw 264.7 cells assessed as compound concentration allowing 0.1 uM ethio...


J Med Chem 55: 6391-402 (2012)


Article DOI: 10.1021/jm300377g
BindingDB Entry DOI: 10.7270/Q2S183MF
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50395183
PNG
(CHEMBL2163969)
Show SMILES Cc1ccc2cc(NC(=O)COc3ccccc3F)ccc2n1
Show InChI InChI=1S/C18H15FN2O2/c1-12-6-7-13-10-14(8-9-16(13)20-12)21-18(22)11-23-17-5-3-2-4-15(17)19/h2-10H,11H2,1H3,(H,21,22)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR in Mycobacterium tuberculosis H37Rv-GFP infected in mouse Raw 264.7 cells assessed as compound concentration allowing 0.1 uM ethio...


J Med Chem 55: 6391-402 (2012)


Article DOI: 10.1021/jm300377g
BindingDB Entry DOI: 10.7270/Q2S183MF
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50395185
PNG
(CHEMBL2164318)
Show SMILES COc1cccc(OCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)c1
Show InChI InChI=1S/C22H18N2O3S/c1-26-17-5-4-6-18(13-17)27-14-21(25)23-16-11-9-15(10-12-16)22-24-19-7-2-3-8-20(19)28-22/h2-13H,14H2,1H3,(H,23,25)
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n/an/an/an/a 210n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR in Mycobacterium tuberculosis H37Rv-GFP infected in mouse Raw 264.7 cells assessed as compound concentration allowing 0.1 uM ethio...


J Med Chem 55: 6391-402 (2012)


Article DOI: 10.1021/jm300377g
BindingDB Entry DOI: 10.7270/Q2S183MF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50395186
PNG
(CHEMBL1612418)
Show SMILES Cc1ccc(cc1)-n1nc2ccc(NC(=O)COc3ccccc3C)cc2n1
Show InChI InChI=1S/C22H20N4O2/c1-15-7-10-18(11-8-15)26-24-19-12-9-17(13-20(19)25-26)23-22(27)14-28-21-6-4-3-5-16(21)2/h3-13H,14H2,1-2H3,(H,23,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR in Mycobacterium tuberculosis H37Rv-GFP infected in mouse Raw 264.7 cells assessed as compound concentration allowing 0.1 uM ethio...


J Med Chem 55: 6391-402 (2012)


Article DOI: 10.1021/jm300377g
BindingDB Entry DOI: 10.7270/Q2S183MF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50395181
PNG
(CHEMBL2164306)
Show SMILES COc1cccc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)c1
Show InChI InChI=1S/C22H18N2O2S2/c1-26-17-5-4-6-18(13-17)27-14-21(25)23-16-11-9-15(10-12-16)22-24-19-7-2-3-8-20(19)28-22/h2-13H,14H2,1H3,(H,23,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR in Mycobacterium tuberculosis H37Rv-GFP infected in mouse Raw 264.7 cells assessed as compound concentration allowing 0.1 uM ethio...


J Med Chem 55: 6391-402 (2012)


Article DOI: 10.1021/jm300377g
BindingDB Entry DOI: 10.7270/Q2S183MF
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50395184
PNG
(CHEMBL2164319)
Show SMILES O=C(COc1cccc(c1)C#N)Nc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C22H15N3O2S/c23-13-15-4-3-5-18(12-15)27-14-21(26)24-17-10-8-16(9-11-17)22-25-19-6-1-2-7-20(19)28-22/h1-12H,14H2,(H,24,26)
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n/an/an/an/a 340n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR in Mycobacterium tuberculosis H37Rv-GFP infected in mouse Raw 264.7 cells assessed as compound concentration allowing 0.1 uM ethio...


J Med Chem 55: 6391-402 (2012)


Article DOI: 10.1021/jm300377g
BindingDB Entry DOI: 10.7270/Q2S183MF
More data for this
Ligand-Target Pair