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Compile Data Set for Download or QSAR

Found 491 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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n/an/a 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)


Article DOI: 10.1016/j.bmcl.2015.08.024
BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))		BDBM50063698
PNG
(4-Guanidino-benzoic acid 6-carbamimidoyl-naphthale...)
Show SMILES [#7]\[#6](-[#7])=[#7]/c1ccc(cc1)-[#6](=O)-[#8]-c1ccc2cc(ccc2c1)-[#6](-[#7])=[#7]
Show InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
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n/an/a 5n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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)


Article DOI: 10.1016/j.bmcl.2015.08.024
BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))		BDBM50272185
PNG
(CHEMBL4129836)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1 |r|
Show InChI InChI=1S/C22H22N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h2-14,20,26H,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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
Serine protease hepsin


(Homo sapiens (Human))		BDBM50424712
PNG
(CAMOSTAT | Camostat Mesilate | Foipan)
Show SMILES [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1
Show InChI InChI=1S/C20H22N4O5/c1-24(2)17(25)12-28-18(26)11-13-3-9-16(10-4-13)29-19(27)14-5-7-15(8-6-14)23-20(21)22/h3-10H,11-12H2,1-2H3,(H4,21,22,23)
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))		BDBM50272310
PNG
(CHEMBL4130135)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C22H28N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h7-14,16,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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)


Article DOI: 10.1016/j.bmcl.2015.08.024
BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))		BDBM50272310
PNG
(CHEMBL4130135)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C22H28N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h7-14,16,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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)		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)		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)		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)


Article DOI: 10.1016/j.bmcl.2015.08.024
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 protease hepsin


(Homo sapiens (Human))		BDBM50272187
PNG
(CHEMBL4128554)
Show SMILES NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(F)cc2)C2CCCCC2)cc1 |r|
Show InChI InChI=1S/C21H25FN4O3S/c22-16-8-12-18(13-9-16)30(28,29)26-19(14-4-2-1-3-5-14)21(27)25-17-10-6-15(7-11-17)20(23)24/h6-14,19,26H,1-5H2,(H3,23,24)(H,25,27)/t19-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))		BDBM50272185
PNG
(CHEMBL4129836)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1 |r|
Show InChI InChI=1S/C22H22N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h2-14,20,26H,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of doxycycline induced Hepsin in human MCF10A cells using Boc-QRR-AMC as substrate preincubated for 24 hrs followed by doxycycline inducti...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))		BDBM50272184
PNG
(CHEMBL4126579)
Show SMILES NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 |r|
Show InChI InChI=1S/C21H25ClN4O3S/c22-16-8-12-18(13-9-16)30(28,29)26-19(14-4-2-1-3-5-14)21(27)25-17-10-6-15(7-11-17)20(23)24/h6-14,19,26H,1-5H2,(H3,23,24)(H,25,27)/t19-/m1/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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 protease hepsin


(Homo sapiens (Human))		BDBM50272187
PNG
(CHEMBL4128554)
Show SMILES NC(=N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(F)cc2)C2CCCCC2)cc1 |r|
Show InChI InChI=1S/C21H25FN4O3S/c22-16-8-12-18(13-9-16)30(28,29)26-19(14-4-2-1-3-5-14)21(27)25-17-10-6-15(7-11-17)20(23)24/h6-14,19,26H,1-5H2,(H3,23,24)(H,25,27)/t19-/m1/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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 protease hepsin


(Homo sapiens (Human))		BDBM50272280
PNG
(CHEMBL4127165)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C22H28N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h7-14,16,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m0/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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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n/an/a 230n/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)


Article DOI: 10.1016/j.bmcl.2015.08.024
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
Serine protease hepsin


(Homo sapiens (Human))		BDBM50272180
PNG
(CHEMBL4128355)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(C(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C22H22N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h2-14,20,26H,1H3,(H3,23,24)(H,25,27)
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))		BDBM50066614
PNG
((E,E)-2,7-Bis(4-amidinobenzylidine)cycloheptan-1-o...)
Show SMILES NC(=N)c1ccc(\C=C2/CCCC\C(=C/c3ccc(cc3)C(N)=N)C2=O)cc1
Show InChI InChI=1S/C23H24N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-14H,1-4H2,(H3,24,25)(H3,26,27)/b19-13+,20-14+
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n/an/a 272n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))		BDBM50272188
PNG
(CHEMBL4129630)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |r|
Show InChI InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m1/s1
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n/an/a 285n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human uPA (M1 to L431 residues) expressed in mouse NS0 cells using Z-GGR-AMC as substrate after 15 ...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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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n/an/a 300n/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)


Article DOI: 10.1016/j.bmcl.2015.08.024
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 | US1...)
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)


Article DOI: 10.1016/j.bmcl.2015.08.024
BindingDB Entry DOI: 10.7270/Q28S4RQ2
More data for this
Ligand-Target Pair
Serine protease hepsin


(Homo sapiens (Human))		BDBM50272349
PNG
(CHEMBL4125890)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C22H28N4O4S/c1-30-18-11-13-19(14-12-18)31(28,29)26-20(15-5-3-2-4-6-15)22(27)25-17-9-7-16(8-10-17)21(23)24/h7-15,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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 protease hepsin


(Homo sapiens (Human))		BDBM50272222
PNG
(CHEMBL4128356)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC(C2)C(=O)NCc2cccs2)c1 |r|
Show InChI InChI=1S/C31H33N5O4S2/c32-29(33)24-9-3-6-21(16-24)17-28(35-42(39,40)27-13-12-22-7-1-2-8-23(22)18-27)31(38)36-14-4-10-25(20-36)30(37)34-19-26-11-5-15-41-26/h1-3,5-9,11-13,15-16,18,25,28,35H,4,10,14,17,19-20H2,(H3,32,33)(H,34,37)/t25?,28-/m0/s1
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University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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 protease hepsin


(Homo sapiens (Human))		BDBM50104435
PNG
(4-(6-Guanidino-hexanoyloxy)-benzoic acid ethyl est...)
Show SMILES CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1
Show InChI InChI=1S/C16H23N3O4/c1-2-22-15(21)12-7-9-13(10-8-12)23-14(20)6-4-3-5-11-19-16(17)18/h7-10H,2-6,11H2,1H3,(H4,17,18,19)
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n/an/a 383n/an/an/an/an/an/a



University of Helsinki

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...

J Med Chem 61: 4335-4347 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01698
BindingDB Entry DOI: 10.7270/Q2FF3VVT
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
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