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PubMed code 22098589

Compile data set for download or QSAR
Found 47 hits of Enzyme Inhibition Constant Data   
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 tuberculosis)		BDBM50363052
PNG
(CHEMBL1946956)
Show SMILES FC(F)(F)CCCC(=O)N1CCC(CC1)c1nc(no1)-c1nccs1
Show InChI InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2
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n/an/a 400n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363017
PNG
(CHEMBL1945812)
Show SMILES COc1ccc2nc(sc2c1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C19H19F3N4O3S/c1-28-12-2-3-13-14(10-12)30-18(23-13)16-24-17(29-25-16)11-5-8-26(9-6-11)15(27)4-7-19(20,21)22/h2-3,10-11H,4-9H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50343350
PNG
(4,4,4-trifluoro-1-(4-(3-(thiophen-2-yl)-1,2,4-oxad...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)6-3-12(22)21-7-4-10(5-8-21)14-19-13(20-23-14)11-2-1-9-24-11/h1-2,9-10H,3-8H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50343351
PNG
(4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...)
Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1 |r|
Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363015
PNG
(CHEMBL1945701)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1nccs1
Show InChI InChI=1S/C14H15F3N4O2S/c15-14(16,17)4-1-10(22)21-6-2-9(3-7-21)12-19-11(20-23-12)13-18-5-8-24-13/h5,8-9H,1-4,6-7H2
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n/an/a 2.80E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363018
PNG
(CHEMBL1945813)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2
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n/an/a 9.10E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of EthR binding to ethA promoter in 106-bp biotinylated DNA preincubated for 5 mins measured for 3 mins by surface plasmon resonance assay

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363048
PNG
(CHEMBL1946423)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-22-21-15(25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2
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n/an/an/an/a>5.00E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50343350
PNG
(4,4,4-trifluoro-1-(4-(3-(thiophen-2-yl)-1,2,4-oxad...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)6-3-12(22)21-7-4-10(5-8-21)14-19-13(20-23-14)11-2-1-9-24-11/h1-2,9-10H,3-8H2
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n/an/an/an/a 100n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363014
PNG
(CHEMBL1945700)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(Cc2cccs2)no1
Show InChI InChI=1S/C16H18F3N3O2S/c17-16(18,19)6-3-14(23)22-7-4-11(5-8-22)15-20-13(21-24-15)10-12-2-1-9-25-12/h1-2,9,11H,3-8,10H2
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n/an/an/an/a 1.30E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363019
PNG
(CHEMBL1945814)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cnccn1
Show InChI InChI=1S/C15H16F3N5O2/c16-15(17,18)4-1-12(24)23-7-2-10(3-8-23)14-21-13(22-25-14)11-9-19-5-6-20-11/h5-6,9-10H,1-4,7-8H2
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n/an/an/an/a 2.00E+4n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363027
PNG
(CHEMBL1945821)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccccc1Cl
Show InChI InChI=1S/C17H17ClF3N3O2/c18-13-4-2-1-3-12(13)15-22-16(26-23-15)11-6-9-24(10-7-11)14(25)5-8-17(19,20)21/h1-4,11H,5-10H2
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n/an/an/an/a 6.30E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363034
PNG
(CHEMBL1945967)
Show SMILES COc1cccc(c1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C18H20F3N3O3/c1-26-14-4-2-3-13(11-14)16-22-17(27-23-16)12-6-9-24(10-7-12)15(25)5-8-18(19,20)21/h2-4,11-12H,5-10H2,1H3
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363051
PNG
(CHEMBL1946426)
Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1nccs1 |r|
Show InChI InChI=1S/C13H13F3N4O2S/c14-13(15,16)3-1-9(21)20-5-2-8(7-20)11-18-10(19-22-11)12-17-4-6-23-12/h4,6,8H,1-3,5,7H2/t8-/m1/s1
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n/an/an/an/a 6.30E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50343351
PNG
(4,4,4-Trifluoro-1-[(R)-3-(3-thiophen-2-yl-1,2,4-ox...)
Show SMILES FC(F)(F)CCC(=O)N1CC[C@H](C1)c1nc(no1)-c1cccs1 |r|
Show InChI InChI=1S/C14H14F3N3O2S/c15-14(16,17)5-3-11(21)20-6-4-9(8-20)13-18-12(19-22-13)10-2-1-7-23-10/h1-2,7,9H,3-6,8H2/t9-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363022
PNG
(CHEMBL1945817)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C16H17F3N4O2/c17-16(18,19)6-3-13(24)23-8-4-11(5-9-23)15-21-14(22-25-15)12-2-1-7-20-10-12/h1-2,7,10-11H,3-6,8-9H2
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n/an/an/an/a 4.30E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363035
PNG
(CHEMBL1945968)
Show SMILES COc1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C18H20F3N3O3/c1-26-14-4-2-12(3-5-14)16-22-17(27-23-16)13-7-10-24(11-8-13)15(25)6-9-18(19,20)21/h2-5,13H,6-11H2,1H3
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363037
PNG
(CHEMBL1945970)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C18H17F6N3O2/c19-17(20,21)7-4-14(28)27-8-5-11(6-9-27)16-25-15(26-29-16)12-2-1-3-13(10-12)18(22,23)24/h1-3,10-11H,4-9H2
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Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363038
PNG
(CHEMBL1945971)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H17F6N3O2/c19-17(20,21)8-5-14(28)27-9-6-12(7-10-27)16-25-15(26-29-16)11-1-3-13(4-2-11)18(22,23)24/h1-4,12H,5-10H2
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n/an/an/an/a 2.50E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363040
PNG
(CHEMBL1946415)
Show SMILES CN(C)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C19H23F3N4O2/c1-25(2)15-5-3-13(4-6-15)17-23-18(28-24-17)14-8-11-26(12-9-14)16(27)7-10-19(20,21)22/h3-6,14H,7-12H2,1-2H3
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363045
PNG
(CHEMBL1946420)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1noc(n1)-c1cccs1
Show InChI InChI=1S/C15H16F3N3O2S/c16-15(17,18)6-3-12(22)21-7-4-10(5-8-21)13-19-14(23-20-13)11-2-1-9-24-11/h1-2,9-10H,3-8H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363046
PNG
(CHEMBL1946421)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1cc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C16H18F3N3OS/c17-16(18,19)6-3-15(23)22-7-4-11(5-8-22)12-10-13(21-20-12)14-2-1-9-24-14/h1-2,9-11H,3-8H2,(H,20,21)
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n/an/an/an/a>5.00E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363050
PNG
(CHEMBL1946425)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)n1[nH]c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C18H20F3N3O2/c19-18(20,21)9-6-16(25)23-10-7-14(8-11-23)24-17(26)12-15(22-24)13-4-2-1-3-5-13/h1-5,12,14,22H,6-11H2
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Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363031
PNG
(CHEMBL1945964)
Show SMILES Cc1cccc(c1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C18H20F3N3O2/c1-12-3-2-4-14(11-12)16-22-17(26-23-16)13-6-9-24(10-7-13)15(25)5-8-18(19,20)21/h2-4,11,13H,5-10H2,1H3
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n/an/an/an/a 2.30E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363042
PNG
(CHEMBL1946417)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)C1CCCC1
Show InChI InChI=1S/C16H22F3N3O2/c17-16(18,19)8-5-13(23)22-9-6-12(7-10-22)15-20-14(21-24-15)11-3-1-2-4-11/h11-12H,1-10H2
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n/an/an/an/a 800n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363043
PNG
(CHEMBL1946418)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)C1CCCCC1
Show InChI InChI=1S/C17H24F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h12-13H,1-11H2
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n/an/an/an/a 4.00E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363052
PNG
(CHEMBL1946956)
Show SMILES FC(F)(F)CCCC(=O)N1CCC(CC1)c1nc(no1)-c1nccs1
Show InChI InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2
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n/an/an/an/a 60n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363023
PNG
(CHEMBL1945818)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C16H17F3N4O2/c17-16(18,19)6-1-13(24)23-9-4-12(5-10-23)15-21-14(22-25-15)11-2-7-20-8-3-11/h2-3,7-8,12H,1,4-6,9-10H2
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n/an/an/an/a 9.30E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363025
PNG
(CHEMBL1945820)
Show SMILES Fc1cccc(c1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C17H17F4N3O2/c18-13-3-1-2-12(10-13)15-22-16(26-23-15)11-5-8-24(9-6-11)14(25)4-7-17(19,20)21/h1-3,10-11H,4-9H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363032
PNG
(CHEMBL1945965)
Show SMILES Cc1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C18H20F3N3O2/c1-12-2-4-13(5-3-12)16-22-17(26-23-16)14-7-10-24(11-8-14)15(25)6-9-18(19,20)21/h2-5,14H,6-11H2,1H3
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363036
PNG
(CHEMBL1945969)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H17F6N3O2/c19-17(20,21)8-5-14(28)27-9-6-11(7-10-27)16-25-15(26-29-16)12-3-1-2-4-13(12)18(22,23)24/h1-4,11H,5-10H2
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363047
PNG
(CHEMBL1946422)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C18H19F3N2OS/c19-18(20,21)9-6-16(24)23-10-7-14(8-11-23)17-22-15(12-25-17)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
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n/an/an/an/a 3.20E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363030
PNG
(CHEMBL1945963)
Show SMILES Cc1ccccc1-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C18H20F3N3O2/c1-12-4-2-3-5-14(12)16-22-17(26-23-16)13-7-10-24(11-8-13)15(25)6-9-18(19,20)21/h2-5,13H,6-11H2,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363039
PNG
(CHEMBL1945972)
Show SMILES Oc1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C17H18F3N3O3/c18-17(19,20)8-5-14(25)23-9-6-12(7-10-23)16-21-15(22-26-16)11-1-3-13(24)4-2-11/h1-4,12,24H,5-10H2
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363049
PNG
(CHEMBL1946424)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1cc(no1)-c1ccccc1
Show InChI InChI=1S/C18H19F3N2O2/c19-18(20,21)9-6-17(24)23-10-7-14(8-11-23)16-12-15(22-25-16)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
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n/an/an/an/a 4.00E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363016
PNG
(CHEMBL1945811)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cncs1
Show InChI InChI=1S/C14H15F3N4O2S/c15-14(16,17)4-1-11(22)21-5-2-9(3-6-21)13-19-12(20-23-13)10-7-18-8-24-10/h7-9H,1-6H2
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n/an/an/an/a 2.50E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363021
PNG
(CHEMBL1945816)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C16H17F3N4O2/c17-16(18,19)7-4-13(24)23-9-5-11(6-10-23)15-21-14(22-25-15)12-3-1-2-8-20-12/h1-3,8,11H,4-7,9-10H2
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Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363024
PNG
(CHEMBL1945819)
Show SMILES Fc1ccccc1-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C17H17F4N3O2/c18-13-4-2-1-3-12(13)15-22-16(26-23-15)11-6-9-24(10-7-11)14(25)5-8-17(19,20)21/h1-4,11H,5-10H2
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363029
PNG
(CHEMBL1945962)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClF3N3O2/c18-13-3-1-11(2-4-13)15-22-16(26-23-15)12-6-9-24(10-7-12)14(25)5-8-17(19,20)21/h1-4,12H,5-10H2
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n/an/an/an/a 1.10E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363017
PNG
(CHEMBL1945812)
Show SMILES COc1ccc2nc(sc2c1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C19H19F3N4O3S/c1-28-12-2-3-13-14(10-12)30-18(23-13)16-24-17(29-25-16)11-5-8-26(9-6-11)15(27)4-7-19(20,21)22/h2-3,10-11H,4-9H2,1H3
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n/an/an/an/a 200n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363018
PNG
(CHEMBL1945813)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C17H18F3N3O2/c18-17(19,20)9-6-14(24)23-10-7-13(8-11-23)16-21-15(22-25-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2
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n/an/an/an/a 500n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363044
PNG
(CHEMBL1946419)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(cs1)-c1cccs1
Show InChI InChI=1S/C16H17F3N2OS2/c17-16(18,19)6-3-14(22)21-7-4-11(5-8-21)15-20-12(10-24-15)13-2-1-9-23-13/h1-2,9-11H,3-8H2
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Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363041
PNG
(CHEMBL1946416)
Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C21H26F3N3O2/c1-20(2,3)16-6-4-14(5-7-16)18-25-19(29-26-18)15-9-12-27(13-10-15)17(28)8-11-21(22,23)24/h4-7,15H,8-13H2,1-3H3
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363033
PNG
(CHEMBL1945966)
Show SMILES COc1ccccc1-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C18H20F3N3O3/c1-26-14-5-3-2-4-13(14)16-22-17(27-23-16)12-7-10-24(11-8-12)15(25)6-9-18(19,20)21/h2-5,12H,6-11H2,1H3
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363028
PNG
(CHEMBL1945961)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H17ClF3N3O2/c18-13-3-1-2-12(10-13)15-22-16(26-23-15)11-5-8-24(9-6-11)14(25)4-7-17(19,20)21/h1-3,10-11H,4-9H2
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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 Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363026
PNG
(CHEMBL1944650)
Show SMILES Fc1ccc(cc1)-c1noc(n1)C1CCN(CC1)C(=O)CCC(F)(F)F
Show InChI InChI=1S/C17H17F4N3O2/c18-13-3-1-11(2-4-13)15-22-16(26-23-15)12-6-9-24(10-7-12)14(25)5-8-17(19,20)21/h1-4,12H,5-10H2
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n/an/an/an/a 7.90E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363015
PNG
(CHEMBL1945701)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1nccs1
Show InChI InChI=1S/C14H15F3N4O2S/c15-14(16,17)4-1-10(22)21-6-2-9(3-7-21)12-19-11(20-23-12)13-18-5-8-24-13/h5,8-9H,1-4,6-7H2
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n/an/an/an/a 500n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)		BDBM50363020
PNG
(CHEMBL1945815)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)c1nc(no1)-c1ncccn1
Show InChI InChI=1S/C15H16F3N5O2/c16-15(17,18)5-2-11(24)23-8-3-10(4-9-23)14-21-13(22-25-14)12-19-6-1-7-20-12/h1,6-7,10H,2-5,8-9H2
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n/an/an/an/a 9.00E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...

J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%