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Found 61 hits Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator EthR' AND taxid = 83332   
Target
(Institution)
LigandTarget
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50343344
PNG
(1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-o...)
Show SMILES O=C(Cc1cccs1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C17H17N3O2S2/c21-15(11-13-3-1-9-23-13)20-7-5-12(6-8-20)17-18-16(19-22-17)14-4-2-10-24-14/h1-4,9-10,12H,5-8,11H2
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n/an/a 500n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50343346
PNG
(4-Methyl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-y...)
Show SMILES CC(C)CCC(=O)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C17H23N3O2S/c1-12(2)5-6-15(21)20-9-7-13(8-10-20)17-18-16(19-22-17)14-4-3-11-23-14/h3-4,11-13H,5-10H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50343347
PNG
(2-Cyclopropyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiaz...)
Show SMILES O=C(CC1CC1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C16H19N3O2S/c20-14(10-11-3-4-11)19-7-5-12(6-8-19)16-17-15(18-21-16)13-2-1-9-22-13/h1-2,9,11-12H,3-8,10H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50343348
PNG
(2-Cyclopentyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiaz...)
Show SMILES O=C(CC1CCCC1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C18H23N3O2S/c22-16(12-13-4-1-2-5-13)21-9-7-14(8-10-21)18-19-17(20-23-18)15-6-3-11-24-15/h3,6,11,13-14H,1-2,4-5,7-10,12H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
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 Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50343349
PNG
(2-Cyclohexyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazo...)
Show SMILES O=C(CC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C19H25N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h4,7,12,14-15H,1-3,5-6,8-11,13H2
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50343345
PNG
(2-Phenyl-1-[4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-...)
Show SMILES O=C(Cc1ccccc1)N1CCC(CC1)c1nc(no1)-c1cccs1
Show InChI InChI=1S/C19H19N3O2S/c23-17(13-14-5-2-1-3-6-14)22-10-8-15(9-11-22)19-20-18(21-24-19)16-7-4-12-25-16/h1-7,12,15H,8-11,13H2
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n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis EthR interaction to ethA promoter after 5 mins by surface plasmon resonance assay


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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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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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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...


Citation and Details
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...


Citation and Details
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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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...


Citation and Details
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
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


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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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
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...


Citation and Details
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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PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
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