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Compile Data Set for Download or QSAR

Found 168 hits with Last Name = 'chapman' and Initial = 'tm'   
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
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157830
PNG
(3-Hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)[nH]c2c(csc2c1=O)-c1ccccc1
Show InChI InChI=1S/C12H8N2O3S/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157832
PNG
(3-Hydroxy-4a,7a-dihydro-1H-thieno[2,3-d]pyrimidine...)
Show SMILES On1c(=O)[nH]c2sccc2c1=O
Show InChI InChI=1S/C6H4N2O3S/c9-5-3-1-2-12-4(3)7-6(10)8(5)11/h1-2,11H,(H,7,10)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381135
PNG
(CHEMBL2017736)
Show SMILES CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2cccc(c2)C#N)CC1
Show InChI InChI=1S/C24H28N8/c1-32-9-7-16(8-10-32)15-26-21-13-22(27-23-12-20(30-31-23)18-5-6-18)29-24(28-21)19-4-2-3-17(11-19)14-25/h2-4,11-13,16,18H,5-10,15H2,1H3,(H3,26,27,28,29,30,31)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121865
PNG
(CHEMBL3617199)
Show SMILES CC(=O)Nc1cccc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C10H9N3O4/c1-5(14)11-7-4-2-3-6-8(7)12-10(16)13(17)9(6)15/h2-4,17H,1H3,(H,11,14)(H,12,16)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381134
PNG
(CHEMBL2017735)
Show SMILES CN(C)CCNc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H24N8/c1-29(2)9-8-23-18-12-19(24-20-11-17(27-28-20)15-6-7-15)26-21(25-18)16-5-3-4-14(10-16)13-22/h3-5,10-12,15H,6-9H2,1-2H3,(H3,23,24,25,26,27,28)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381136
PNG
(CHEMBL2017737)
Show SMILES CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2cccc(c2)S(C)(=O)=O)CC1
Show InChI InChI=1S/C24H31N7O2S/c1-31-10-8-16(9-11-31)15-25-21-14-22(26-23-13-20(29-30-23)17-6-7-17)28-24(27-21)18-4-3-5-19(12-18)34(2,32)33/h3-5,12-14,16-17H,6-11,15H2,1-2H3,(H3,25,26,27,28,29,30)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381139
PNG
(CHEMBL2017871)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C23H22F3N7/c1-32(2)18-7-9-33(14-18)21-12-20(29-19-11-17(6-8-28-19)23(24,25)26)30-22(31-21)16-5-3-4-15(10-16)13-27/h3-6,8,10-12,18H,7,9,14H2,1-2H3,(H,28,29,30,31)/t18-/m1/s1
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381131
PNG
(CHEMBL2017732)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H27N7/c1-28(2)17-10-11-29(14-17)21-13-19(23-20-12-18(26-27-20)15-8-9-15)24-22(25-21)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11,14H2,1-2H3,(H2,23,24,25,26,27)/t17-/m1/s1
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381129
PNG
(CHEMBL2017730)
Show SMILES CN1CCC(CNc2cc(Nc3cc(n[nH]3)C3CC3)nc(n2)-c2ccccc2)CC1
Show InChI InChI=1S/C23H29N7/c1-30-11-9-16(10-12-30)15-24-20-14-21(25-22-13-19(28-29-22)17-7-8-17)27-23(26-20)18-5-3-2-4-6-18/h2-6,13-14,16-17H,7-12,15H2,1H3,(H3,24,25,26,27,28,29)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381132
PNG
(CHEMBL2017733)
Show SMILES C(CN1CCCC1)Oc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C22H26N6O/c1-2-6-17(7-3-1)22-24-19(23-20-14-18(26-27-20)16-8-9-16)15-21(25-22)29-13-12-28-10-4-5-11-28/h1-3,6-7,14-16H,4-5,8-13H2,(H2,23,24,25,26,27)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381133
PNG
(CHEMBL2017734)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C23H26N8/c1-30(2)18-8-9-31(14-18)22-12-20(25-21-11-19(28-29-21)16-6-7-16)26-23(27-22)17-5-3-4-15(10-17)13-24/h3-5,10-12,16,18H,6-9,14H2,1-2H3,(H2,25,26,27,28,29)/t18-/m1/s1
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157846
PNG
(3-Hydroxy-7-p-tolyl-1H-furo[3,2-d]pyrimidine-2,4-d...)
Show SMILES Cc1ccc(cc1)-c1coc2c1[nH]c(=O)n(O)c2=O
Show InChI InChI=1S/C13H10N2O4/c1-7-2-4-8(5-3-7)9-6-19-11-10(9)14-13(17)15(18)12(11)16/h2-6,18H,1H3,(H,14,17)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381124
PNG
(CHEMBL2017725)
Show SMILES Clc1ccccc1CCNc1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C18H19ClN6/c19-14-4-2-1-3-12(14)7-9-20-18-21-10-8-16(23-18)22-17-11-15(24-25-17)13-5-6-13/h1-4,8,10-11,13H,5-7,9H2,(H3,20,21,22,23,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381130
PNG
(CHEMBL2017731)
Show SMILES CN1CCC(CC1)Nc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C22H27N7/c1-29-11-9-17(10-12-29)23-19-14-20(24-21-13-18(27-28-21)15-7-8-15)26-22(25-19)16-5-3-2-4-6-16/h2-6,13-15,17H,7-12H2,1H3,(H3,23,24,25,26,27,28)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381123
PNG
(CHEMBL2017724)
Show SMILES Fc1cccc(CCNc2nccc(Nc3cc(n[nH]3)C3CC3)n2)c1
Show InChI InChI=1S/C18H19FN6/c19-14-3-1-2-12(10-14)6-8-20-18-21-9-7-16(23-18)22-17-11-15(24-25-17)13-4-5-13/h1-3,7,9-11,13H,4-6,8H2,(H3,20,21,22,23,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381120
PNG
(CHEMBL2017721)
Show SMILES C1CC1c1cc(Nc2ccnc(NC3CCCCC3)n2)[nH]n1
Show InChI InChI=1S/C16H22N6/c1-2-4-12(5-3-1)18-16-17-9-8-14(20-16)19-15-10-13(21-22-15)11-6-7-11/h8-12H,1-7H2,(H3,17,18,19,20,21,22)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381117
PNG
(CHEMBL2017717)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C17H17N5O2S/c1-25(23,24)13-4-2-3-12(9-13)17-18-8-7-15(20-17)19-16-10-14(21-22-16)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H2,18,19,20,21,22)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381119
PNG
(CHEMBL2017719)
Show SMILES N#Cc1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C17H14N6/c18-10-11-2-1-3-13(8-11)17-19-7-6-15(21-17)20-16-9-14(22-23-16)12-4-5-12/h1-3,6-9,12H,4-5H2,(H2,19,20,21,22,23)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381127
PNG
(CHEMBL2017728)
Show SMILES CN(C)CCNc1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C20H25N7/c1-27(2)11-10-21-17-13-18(22-19-12-16(25-26-19)14-8-9-14)24-20(23-17)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3,(H3,21,22,23,24,25,26)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381112
PNG
(CHEMBL2017712)
Show SMILES C1CC1c1cc(Nc2nc(NC3CCCCC3)nc3ccccc23)[nH]n1
Show InChI InChI=1S/C20H24N6/c1-2-6-14(7-3-1)21-20-22-16-9-5-4-8-15(16)19(24-20)23-18-12-17(25-26-18)13-10-11-13/h4-5,8-9,12-14H,1-3,6-7,10-11H2,(H3,21,22,23,24,25,26)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381126
PNG
(CHEMBL2017727)
Show SMILES C1CC1c1cc(Nc2ccnc(NC3CCCC3)n2)[nH]n1
Show InChI InChI=1S/C15H20N6/c1-2-4-11(3-1)17-15-16-8-7-13(19-15)18-14-9-12(20-21-14)10-5-6-10/h7-11H,1-6H2,(H3,16,17,18,19,20,21)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381128
PNG
(CHEMBL2017729)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(n[nH]2)C2CC2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C21H25N7/c1-27-9-11-28(12-10-27)20-14-18(22-19-13-17(25-26-19)15-7-8-15)23-21(24-20)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H2,22,23,24,25,26)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381106
PNG
(CHEMBL2017870)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2cc(Cl)ccn2)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H23ClN6/c1-27(2)17-9-11-28(14-17)20-13-19(24-18-12-16(22)8-10-23-18)25-21(26-20)15-6-4-3-5-7-15/h3-8,10,12-13,17H,9,11,14H2,1-2H3,(H,23,24,25,26)/t17-/m1/s1
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381105
PNG
(CHEMBL2017720)
Show SMILES C1CC1c1cc(Nc2ccnc(n2)-c2cccnc2)[nH]n1
Show InChI InChI=1S/C15H14N6/c1-2-11(9-16-6-1)15-17-7-5-13(19-15)18-14-8-12(20-21-14)10-3-4-10/h1-2,5-10H,3-4H2,(H2,17,18,19,20,21)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381125
PNG
(CHEMBL2017726)
Show SMILES C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)C1CC1
Show InChI InChI=1S/C14H18N6/c1-2-9(1)8-16-14-15-6-5-12(18-14)17-13-7-11(19-20-13)10-3-4-10/h5-7,9-10H,1-4,8H2,(H3,15,16,17,18,19,20)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381110
PNG
(CHEMBL2017710)
Show SMILES Fc1ccc(cc1)-c1nc(Nc2cc(n[nH]2)C2CC2)c2ccccc2n1
Show InChI InChI=1S/C20H16FN5/c21-14-9-7-13(8-10-14)19-22-16-4-2-1-3-15(16)20(24-19)23-18-11-17(25-26-18)12-5-6-12/h1-4,7-12H,5-6H2,(H2,22,23,24,25,26)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121867
PNG
(CHEMBL3617197)
Show SMILES On1c(=O)[nH]c2cc(Nc3ccccc3)ccc2c1=O
Show InChI InChI=1S/C14H11N3O3/c18-13-11-7-6-10(15-9-4-2-1-3-5-9)8-12(11)16-14(19)17(13)20/h1-8,15,20H,(H,16,19)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381118
PNG
(CHEMBL2017718)
Show SMILES CS(=O)(=O)NCc1ccc(cc1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C18H20N6O2S/c1-27(25,26)20-11-12-2-4-14(5-3-12)18-19-9-8-16(22-18)21-17-10-15(23-24-17)13-6-7-13/h2-5,8-10,13,20H,6-7,11H2,1H3,(H2,19,21,22,23,24)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121921
PNG
(CHEMBL1207029)
Show SMILES ON1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C12H7NO3/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13(11)16/h1-6,16H
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM33412
PNG
(CHEMBL183852 | N-hydroxy quinazolinedione, 4)
Show SMILES On1c(=O)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C8H6N2O3/c11-7-5-3-1-2-4-6(5)9-8(12)10(7)13/h1-4,13H,(H,9,12)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381107
PNG
(CHEMBL2017707)
Show SMILES C1CC1c1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1
Show InChI InChI=1S/C19H16N6/c1-2-4-15-14(3-1)19(22-17-11-16(24-25-17)12-5-6-12)23-18(21-15)13-7-9-20-10-8-13/h1-4,7-12H,5-6H2,(H2,21,22,23,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381121
PNG
(CHEMBL2017722)
Show SMILES CC(C)CCNc1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C15H22N6/c1-10(2)5-7-16-15-17-8-6-13(19-15)18-14-9-12(20-21-14)11-3-4-11/h6,8-11H,3-5,7H2,1-2H3,(H3,16,17,18,19,20,21)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381114
PNG
(CHEMBL2017714)
Show SMILES Fc1ccc(cc1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C16H14FN5/c17-12-5-3-11(4-6-12)16-18-8-7-14(20-16)19-15-9-13(21-22-15)10-1-2-10/h3-10H,1-2H2,(H2,18,19,20,21,22)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381115
PNG
(CHEMBL2017715)
Show SMILES NC(=O)c1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C17H16N6O/c18-16(24)11-2-1-3-12(8-11)17-19-7-6-14(21-17)20-15-9-13(22-23-15)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,24)(H2,19,20,21,22,23)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381116
PNG
(CHEMBL2017716)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1nccc(Nc2cc(n[nH]2)C2CC2)n1
Show InChI InChI=1S/C17H18N6O2S/c1-26(24,25)23-13-4-2-3-12(9-13)17-18-8-7-15(20-17)19-16-10-14(21-22-16)11-5-6-11/h2-4,7-11,23H,5-6H2,1H3,(H2,18,19,20,21,22)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381113
PNG
(CHEMBL2017713)
Show SMILES C(Nc1nc(Nc2cc(n[nH]2)C2CC2)c2ccccc2n1)C1CC1
Show InChI InChI=1S/C18H20N6/c1-2-4-14-13(3-1)17(22-18(20-14)19-10-11-5-6-11)21-16-9-15(23-24-16)12-7-8-12/h1-4,9,11-12H,5-8,10H2,(H3,19,20,21,22,23,24)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381111
PNG
(CHEMBL2017711)
Show SMILES C1CC1c1cc(Nc2nc(nc3ccccc23)-c2ccccc2)[nH]n1
Show InChI InChI=1S/C20H17N5/c1-2-6-14(7-3-1)19-21-16-9-5-4-8-15(16)20(23-19)22-18-12-17(24-25-18)13-10-11-13/h1-9,12-13H,10-11H2,(H2,21,22,23,24,25)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381108
PNG
(CHEMBL2017708)
Show SMILES Fc1ccc(cc1)-c1nc(Nc2ccn[nH]2)c2ccccc2n1
Show InChI InChI=1S/C17H12FN5/c18-12-7-5-11(6-8-12)16-20-14-4-2-1-3-13(14)17(22-16)21-15-9-10-19-23-15/h1-10H,(H2,19,20,21,22,23)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121861
PNG
(CHEMBL3617203)
Show SMILES On1c(=O)cc([nH]c1=O)-c1ccccc1
Show InChI InChI=1S/C10H8N2O3/c13-9-6-8(11-10(14)12(9)15)7-4-2-1-3-5-7/h1-6,15H,(H,11,14)
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50157850
PNG
(3-Hydroxy-1-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-...)
Show SMILES On1c(=O)n(Cc2ccccc2)c2sccc2c1=O
Show InChI InChI=1S/C13H10N2O3S/c16-11-10-6-7-19-12(10)14(13(17)15(11)18)8-9-4-2-1-3-5-9/h1-7,18H,8H2
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121924
PNG
(CHEMBL1415852)
Show SMILES ON1C(=O)c2cccc3c(Cl)ccc(C1=O)c23
Show InChI InChI=1S/C12H6ClNO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14(17)12(8)16/h1-5,17H
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MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381122
PNG
(CHEMBL2017723)
Show SMILES C(Nc1nccc(Nc2cc(n[nH]2)C2CC2)n1)c1ccccc1
Show InChI InChI=1S/C17H18N6/c1-2-4-12(5-3-1)11-19-17-18-9-8-15(21-17)20-16-10-14(22-23-16)13-6-7-13/h1-5,8-10,13H,6-7,11H2,(H3,18,19,20,21,22,23)
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n/an/a 715n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121866
PNG
(CHEMBL3617198)
Show SMILES On1c(=O)[nH]c2cc(ccc2c1=O)N1CCCC1
Show InChI InChI=1S/C12H13N3O3/c16-11-9-4-3-8(14-5-1-2-6-14)7-10(9)13-12(17)15(11)18/h3-4,7,18H,1-2,5-6H2,(H,13,17)
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n/an/a 1.10E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381138
PNG
(CHEMBL2017739)
Show SMILES COc1ccnc(Nc2cc(nc(n2)-c2ccccc2)N2CC[C@H](C2)N(C)C)c1 |r|
Show InChI InChI=1S/C22H26N6O/c1-27(2)17-10-12-28(15-17)21-14-20(24-19-13-18(29-3)9-11-23-19)25-22(26-21)16-7-5-4-6-8-16/h4-9,11,13-14,17H,10,12,15H2,1-3H3,(H,23,24,25,26)/t17-/m1/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381109
PNG
(CHEMBL2017709)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccc(F)cc2)[nH]n1
Show InChI InChI=1S/C18H14FN5/c1-11-10-16(24-23-11)21-18-14-4-2-3-5-15(14)20-17(22-18)12-6-8-13(19)9-7-12/h2-10H,1H3,(H2,20,21,22,23,24)
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n/an/a 1.16E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121876
PNG
(CHEMBL3617209)
Show SMILES CCC(C)NC(=O)c1nc([nH]c(=O)c1O)-c1cccs1
Show InChI InChI=1/C13H15N3O3S/c1-3-7(2)14-12(18)9-10(17)13(19)16-11(15-9)8-5-4-6-20-8/h4-7,17H,3H2,1-2H3,(H,14,18)(H,15,16,19)
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n/an/a 1.30E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50293701
PNG
(CHEMBL549536 | N-(5-methyl-1H-pyrazol-3-yl)-2-(pyr...)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccncc2)[nH]n1
Show InChI InChI=1S/C17H14N6/c1-11-10-15(23-22-11)20-17-13-4-2-3-5-14(13)19-16(21-17)12-6-8-18-9-7-12/h2-10H,1H3,(H2,19,20,21,22,23)
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n/an/a 1.35E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pknB


(Mycobacterium tuberculosis)
BDBM50381137
PNG
(CHEMBL2017738)
Show SMILES CN(C)[C@@H]1CCN(C1)c1cc(Nc2ccccn2)nc(n1)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C22H23N7/c1-28(2)18-9-11-29(15-18)21-13-20(25-19-8-3-4-10-24-19)26-22(27-21)17-7-5-6-16(12-17)14-23/h3-8,10,12-13,18H,9,11,15H2,1-2H3,(H,24,25,26,27)/t18-/m1/s1
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n/an/a 1.99E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis GST-fused PknB expressed in Escherichia coli assessed as GarA substrate phosphorylation after 30 mins


Bioorg Med Chem Lett 22: 3349-53 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.107
BindingDB Entry DOI: 10.7270/Q22Z16JX
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121863
PNG
(CHEMBL3617201)
Show SMILES CC(=O)Nc1ccc2[nH]c(=O)n(O)c(=O)c2c1
Show InChI InChI=1S/C10H9N3O4/c1-5(14)11-6-2-3-8-7(4-6)9(15)13(17)10(16)12-8/h2-4,17H,1H3,(H,11,14)(H,12,16)
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n/an/a 2.00E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Flap endonuclease 1


(Homo sapiens (Human))
BDBM50121862
PNG
(CHEMBL3617202)
Show SMILES Cn1c2ccccc2c(=O)n(O)c1=O
Show InChI InChI=1S/C9H8N2O3/c1-10-7-5-3-2-4-6(7)8(12)11(14)9(10)13/h2-5,14H,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



MRC Technology

Curated by ChEMBL


Assay Description
Inhibition of FEN1 (unknown origin)


Bioorg Med Chem Lett 25: 4104-8 (2015)


BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
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