Compile Data Set for Download or QSAR
Found 7 Enz. Inhib. hit(s) with all data for entry = 50040503
TargetHTH-type transcriptional regulator EthR(Mycobacterium smegmatis (strain ATCC 700084 / mc(2...)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50395186(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)
Affinity DataIC50: 2.90E+3nMAssay Description:Inhibition at EthR in Mycobacterium smegmatis mc2 155 assessed as reactivation of beta-glucuronidase activity measured over 48 hrs by Spectrophotomet...More data for this Ligand-Target Pair
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50395182(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)
Affinity DataEC50:  1.60E+3nMAssay 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...More data for this Ligand-Target Pair
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50395183(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)
Affinity DataEC50:  2.20E+3nMAssay 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...More data for this Ligand-Target Pair
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50395185(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)
Affinity DataEC50:  210nMAssay 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...More data for this Ligand-Target Pair
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50395186(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)
Affinity DataEC50: >1.00E+4nMAssay 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...More data for this Ligand-Target Pair
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50395181(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)
Affinity DataEC50: >1.00E+4nMAssay 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...More data for this Ligand-Target Pair
TargetHTH-type transcriptional regulator EthR(Mycobacterium tuberculosis)
University of Lille

Curated by ChEMBL
LigandPNGBDBM50395184(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)
Affinity DataEC50:  340nMAssay 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...More data for this Ligand-Target Pair