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Compile Data Set for Download or QSAR

Found 10 hits of ic50 for UniProtKB: P9WMF9   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480868
PNG
(CHEMBL571500)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2cc3ccccc3oc2=O)ccc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H21ClN2O5/c1-37-27-17-21(14-15-25(27)33-29(35)22-7-3-4-8-24(22)31)32-28(34)19-12-10-18(11-13-19)23-16-20-6-2-5-9-26(20)38-30(23)36/h2-17H,1H3,(H,32,34)(H,33,35)
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n/an/a<4.95E+4n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis phosphorylated DevR binding to fdxA promoter DNA after 10 mins by EMSA


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480868
PNG
(CHEMBL571500)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2cc3ccccc3oc2=O)ccc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H21ClN2O5/c1-37-27-17-21(14-15-25(27)33-29(35)22-7-3-4-8-24(22)31)32-28(34)19-12-10-18(11-13-19)23-16-20-6-2-5-9-26(20)38-30(23)36/h2-17H,1H3,(H,32,34)(H,33,35)
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n/an/a<1.25E+5n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of DevR region-dependent narK2 promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480868
PNG
(CHEMBL571500)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2cc3ccccc3oc2=O)ccc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H21ClN2O5/c1-37-27-17-21(14-15-25(27)33-29(35)22-7-3-4-8-24(22)31)32-28(34)19-12-10-18(11-13-19)23-16-20-6-2-5-9-26(20)38-30(23)36/h2-17H,1H3,(H,32,34)(H,33,35)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of DevR region-dependent Rv3134c promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480868
PNG
(CHEMBL571500)
Show SMILES COc1cc(NC(=O)c2ccc(cc2)-c2cc3ccccc3oc2=O)ccc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C30H21ClN2O5/c1-37-27-17-21(14-15-25(27)33-29(35)22-7-3-4-8-24(22)31)32-28(34)19-12-10-18(11-13-19)23-16-20-6-2-5-9-26(20)38-30(23)36/h2-17H,1H3,(H,32,34)(H,33,35)
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n/an/a<1.25E+5n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of DevR region-dependent hspX promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480871
PNG
(CHEMBL571036)
Show SMILES COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O4/c1-29-20-13-15(25-23(28)21-12-14-6-2-5-9-19(14)30-21)10-11-18(20)26-22(27)16-7-3-4-8-17(16)24/h2-13H,1H3,(H,25,28)(H,26,27)
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n/an/a 1.99E+5n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis phosphorylated DevR binding to fdxA promoter DNA after 10 mins by EMSA


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480870
PNG
(CHEMBL571713)
Show SMILES COc1cc(NC(=O)CCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl
Show InChI InChI=1S/C25H25Cl2NO5/c1-30-22-14-20(23(31-2)13-19(22)27)28-25(29)11-7-16-6-10-21(24(12-16)32-3)33-15-17-4-8-18(26)9-5-17/h4-6,8-10,12-14H,7,11,15H2,1-3H3,(H,28,29)
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n/an/a 2.48E+5n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of DevR region-dependent Rv3134c promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480869
PNG
(CHEMBL583462)
Show SMILES CCOc1cc(\C=C2/NC(=O)N(C2=O)c2ccccc2F)cc(CC=C)c1O
Show InChI InChI=1S/C21H19FN2O4/c1-3-7-14-10-13(12-18(19(14)25)28-4-2)11-16-20(26)24(21(27)23-16)17-9-6-5-8-15(17)22/h3,5-6,8-12,25H,1,4,7H2,2H3,(H,23,27)/b16-11-
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n/an/a 2.58E+5n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis phosphorylated DevR binding to fdxA promoter DNA after 10 mins by EMSA


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480870
PNG
(CHEMBL571713)
Show SMILES COc1cc(NC(=O)CCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)cc1Cl
Show InChI InChI=1S/C25H25Cl2NO5/c1-30-22-14-20(23(31-2)13-19(22)27)28-25(29)11-7-16-6-10-21(24(12-16)32-3)33-15-17-4-8-18(26)9-5-17/h4-6,8-10,12-14H,7,11,15H2,1-3H3,(H,28,29)
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n/an/a 2.95E+5n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis phosphorylated DevR binding to fdxA promoter DNA after 10 mins by EMSA


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480871
PNG
(CHEMBL571036)
Show SMILES COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O4/c1-29-20-13-15(25-23(28)21-12-14-6-2-5-9-19(14)30-21)10-11-18(20)26-22(27)16-7-3-4-8-17(16)24/h2-13H,1H3,(H,25,28)(H,26,27)
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n/an/a 2.99E+5n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of DevR region-dependent Rv3134c promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair
DNA-binding transcriptional activator DevR/DosR


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50480869
PNG
(CHEMBL583462)
Show SMILES CCOc1cc(\C=C2/NC(=O)N(C2=O)c2ccccc2F)cc(CC=C)c1O
Show InChI InChI=1S/C21H19FN2O4/c1-3-7-14-10-13(12-18(19(14)25)28-4-2)11-16-20(26)24(21(27)23-16)17-9-6-5-8-15(17)22/h3,5-6,8-12,25H,1,4,7H2,2H3,(H,23,27)/b16-11-
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n/an/a 3.11E+5n/an/an/an/an/an/a



Indian Institute of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of DevR region-dependent Rv3134c promoter activity in Mycobacterium tuberculosis H37Rv after 48 hrs by GFP reporter gene assay


J Med Chem 52: 6324-34 (2009)


Article DOI: 10.1021/jm900358q
BindingDB Entry DOI: 10.7270/Q2765J5M
More data for this
Ligand-Target Pair