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Compile Data Set for Download or QSAR

Found 1031 hits with Last Name = 'janson' and Initial = 'c'   
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
Cathepsin K


(Homo sapiens (Human))
BDBM50098576
PNG
(5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1
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0.00480n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Human cathepsin K


J Med Chem 44: 1380-95 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4WDC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (Human))
BDBM19770
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20-,25-/m0/s1
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0.00990 -62.2n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17428
PNG
(1,2,4-Triazole Compound, 86 | N-[5-(benzylsulfanyl...)
Show SMILES C(Sc1nnc(Nc2cccnc2)[nH]1)c1ccccc1
Show InChI InChI=1S/C14H13N5S/c1-2-5-11(6-3-1)10-20-14-17-13(18-19-14)16-12-7-4-8-15-9-12/h1-9H,10H2,(H2,16,17,18,19)
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0.0400n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19770
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1[C@@H](C)CCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-20(29-27(34)23-15-19-8-4-5-9-22(19)37-23)26(33)30-25-18(3)11-13-31(16-21(25)32)38(35,36)24-10-6-7-12-28-24/h4-10,12,15,17-18,20,25H,11,13-14,16H2,1-3H3,(H,29,34)(H,30,33)/t18-,20-,25-/m0/s1
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0.0400 -58.8n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17355
PNG
(1,2,4-Triazole Compound, 13 | 5-(benzylsulfanyl)-N...)
Show SMILES Cc1ccccc1Nc1nnc(SCc2ccccc2)[nH]1
Show InChI InChI=1S/C16H16N4S/c1-12-7-5-6-10-14(12)17-15-18-16(20-19-15)21-11-13-8-3-2-4-9-13/h2-10H,11H2,1H3,(H2,17,18,19,20)
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0.0400 -58.8n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19778
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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0.0410 -58.7n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17388
PNG
(1,2,4-Triazole Compound, 46 | 5-(benzylsulfanyl)-N...)
Show SMILES COc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C16H16N4OS/c1-21-14-9-7-13(8-10-14)17-15-18-16(20-19-15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,17,18,19,20)
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0.0500n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin V


(Homo sapiens (Human))
BDBM19778
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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0.0630n/an/an/an/an/an/an/an/a



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19778
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20+,21+/m1/s1
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0.0680 -57.4n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17365
PNG
(1,2,4-Triazole Compound, 23 | 5-(benzylsulfanyl)-N...)
Show SMILES Cc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C16H16N4S/c1-12-7-9-14(10-8-12)17-15-18-16(20-19-15)21-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,17,18,19,20)
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0.0700 -57.4n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50046660
PNG
(2-[4-(2-Amino-6-methyl-4-oxo-3,4-dihydro-quinazoli...)
Show SMILES Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(=O)N[C@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H20N4O6S/c1-10-2-7-13-16(19(29)25-21(22)24-13)17(10)32-12-5-3-11(4-6-12)18(28)23-14(20(30)31)8-9-15(26)27/h2-7,14H,8-9H2,1H3,(H,23,28)(H,26,27)(H,30,31)(H3,22,24,25,29)/t14-/m1/s1
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0.124n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for TS activity against human Thymidylate synthase by tight binding kinetics


J Med Chem 36: 733-46 (1993)


BindingDB Entry DOI: 10.7270/Q2HM57JF
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17390
PNG
(1,2,4-Triazole Compound, 48 | 5-{[(2-fluorophenyl)...)
Show SMILES COc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1
Show InChI InChI=1S/C16H15FN4OS/c1-22-13-8-6-12(7-9-13)18-15-19-16(21-20-15)23-10-11-4-2-3-5-14(11)17/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.130n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19775
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21-/m0/s1
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0.140 -55.7n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17362
PNG
(1,2,4-Triazole Compound, 20 | 5-[(3-methylbut-2-en...)
Show SMILES CC(C)=CCSc1nnc(Nc2ccccc2C)[nH]1 |(5.94,4.3,;4.59,5.03,;4.55,6.57,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-8.21,3.37,;-2.04,3.24,)|
Show InChI InChI=1S/C14H18N4S/c1-10(2)8-9-19-14-16-13(17-18-14)15-12-7-5-4-6-11(12)3/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
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0.150 -55.5n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17395
PNG
(1,2,4-Triazole Compound, 53 | N-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(Nc2nnc(SCC=C(C)C)[nH]2)cc1 |(-9.75,8.7,;-8.21,8.7,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-5.9,4.7,;-4.75,3.67,;-3.29,4.15,;-2.81,5.61,;-1.27,5.61,;-.8,4.15,;.67,3.67,;1.81,4.7,;3.28,4.22,;4.51,5.15,;5.93,4.55,;4.32,6.68,;-2.04,3.24,;-5.13,6.03,;-5.9,7.37,)|
Show InChI InChI=1S/C14H18N4OS/c1-10(2)8-9-20-14-16-13(17-18-14)15-11-4-6-12(19-3)7-5-11/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
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0.160n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19769
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Human cathepsin K


J Med Chem 44: 1380-95 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4WDC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cathepsin K


(Homo sapiens (Human))
BDBM19769
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C26H30N4O6S/c1-17(2)14-20(29-26(33)23-15-18-8-3-4-10-22(18)36-23)25(32)28-19-9-7-13-30(16-21(19)31)37(34,35)24-11-5-6-12-27-24/h3-6,8,10-12,15,17,19-20H,7,9,13-14,16H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
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0.160 -55.3n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17358
PNG
(1,2,4-Triazole Compound, 16 | 5-{[(2-fluorophenyl)...)
Show SMILES Cc1ccccc1Nc1nnc(SCc2ccccc2F)[nH]1
Show InChI InChI=1S/C16H15FN4S/c1-11-6-2-5-9-14(11)18-15-19-16(21-20-15)22-10-12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.230 -54.5n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17430
PNG
(1,2,4-Triazole Compound, 88 | N-(5-{[(2-fluorophen...)
Show SMILES Fc1ccccc1CSc1nnc(Nc2cccnc2)[nH]1
Show InChI InChI=1S/C14H12FN5S/c15-12-6-2-1-4-10(12)9-21-14-18-13(19-20-14)17-11-5-3-7-16-8-11/h1-8H,9H2,(H2,17,18,19,20)
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0.300n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17411
PNG
(1,2,4-Triazole Compound, 69 | methyl 4-[(5-{[(2-fl...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1
Show InChI InChI=1S/C17H15FN4O2S/c1-24-15(23)11-6-8-13(9-7-11)19-16-20-17(22-21-16)25-10-12-4-2-3-5-14(12)18/h2-9H,10H2,1H3,(H2,19,20,21,22)
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0.410n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17377
PNG
(1,2,4-Triazole Compound, 35 | 5-(benzylsulfanyl)-N...)
Show SMILES Clc1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C15H13ClN4S/c16-12-6-8-13(9-7-12)17-14-18-15(20-19-14)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18,19,20)
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0.430n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM50098576
PNG
(5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2cc(OCCN3CCOCC3)ccc2o1)C(=O)N[C@H]1CCCN(CC1=O)C(=O)Cc1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C40H47N5O7/c1-27(2)21-34(43-40(49)37-25-30-24-31(11-12-36(30)52-37)51-20-17-44-15-18-50-19-16-44)39(48)42-33-10-6-14-45(26-35(33)46)38(47)23-28-7-5-8-29(22-28)32-9-3-4-13-41-32/h3-5,7-9,11-13,22,24-25,27,33-34H,6,10,14-21,23,26H2,1-2H3,(H,42,48)(H,43,49)/t33-,34-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Human cathepsin L


J Med Chem 44: 1380-95 (2001)


BindingDB Entry DOI: 10.7270/Q2QR4WDC
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17352
PNG
(1,2,4-Triazole Compound, 6 | 5-(benzylsulfanyl)-N-...)
Show SMILES C(Sc1nnc(Nc2ccccc2)[nH]1)c1ccccc1
Show InChI InChI=1S/C15H14N4S/c1-3-7-12(8-4-1)11-20-15-17-14(18-19-15)16-13-9-5-2-6-10-13/h1-10H,11H2,(H2,16,17,18,19)
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0.5 -52.6n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17431
PNG
(1,2,4-Triazole Compound, 89 | N-(5-{[(3,4-difluoro...)
Show SMILES Fc1ccc(CSc2nnc(Nc3cccnc3)[nH]2)cc1F
Show InChI InChI=1S/C14H11F2N5S/c15-11-4-3-9(6-12(11)16)8-22-14-19-13(20-21-14)18-10-2-1-5-17-7-10/h1-7H,8H2,(H2,18,19,20,21)
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0.5n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17416
PNG
(1,2,4-Triazole Compound, 74 | methyl 4-({5-[(3-met...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCC=C(C)C)[nH]2)cc1 |(-10.52,10.03,;-9.75,8.7,;-8.21,8.7,;-7.44,10.03,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-5.9,4.7,;-4.75,3.67,;-3.29,4.15,;-2.81,5.61,;-1.27,5.61,;-.8,4.15,;.67,3.67,;1.81,4.7,;3.28,4.22,;4.42,5.25,;5.89,4.78,;4.1,6.76,;-2.04,3.24,;-5.13,6.03,;-5.9,7.37,)|
Show InChI InChI=1S/C15H18N4O2S/c1-10(2)8-9-22-15-17-14(18-19-15)16-12-6-4-11(5-7-12)13(20)21-3/h4-8H,9H2,1-3H3,(H2,16,17,18,19)
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0.5n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50066647
PNG
(CHEMBL113724 | {(S)-3-Methyl-1-[3-oxo-1-(4-phenoxy...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(CC1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H35N3O7S/c1-22(2)19-28(33-31(37)40-21-23-9-5-3-6-10-23)30(36)32-27-17-18-34(20-29(27)35)42(38,39)26-15-13-25(14-16-26)41-24-11-7-4-8-12-24/h3-16,22,27-28H,17-21H2,1-2H3,(H,32,36)(H,33,37)/t27?,28-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of cathepsin K


J Med Chem 41: 3563-7 (1998)


Article DOI: 10.1021/jm980295f
BindingDB Entry DOI: 10.7270/Q2G15ZZB
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17385
PNG
(1,2,4-Triazole Compound, 43 | N-(4-chlorophenyl)-5...)
Show SMILES CC(C)=CCSc1nnc(Nc2ccc(Cl)cc2)[nH]1 |(5.94,4.35,;4.57,5.06,;4.5,6.59,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,8.7,;-8.21,6.03,;-7.44,4.7,;-2.04,3.24,)|
Show InChI InChI=1S/C13H15ClN4S/c1-9(2)7-8-19-13-16-12(17-18-13)15-11-5-3-10(14)4-6-11/h3-7H,8H2,1-2H3,(H2,15,16,17,18)
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0.520n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19808
PNG
(benzyl N-[(1S)-1-({1-[(2S)-2-{[(benzyloxy)carbonyl...)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CN(CC1=O)C(=O)[C@H](CC(C)C)N(C)C(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H44N4O7/c1-22(2)16-26(35-32(41)43-20-24-12-8-6-9-13-24)30(39)34-27-18-37(19-29(27)38)31(40)28(17-23(3)4)36(5)33(42)44-21-25-14-10-7-11-15-25/h6-15,22-23,26-28H,16-21H2,1-5H3,(H,34,39)(H,35,41)/t26-,27?,28-/m0/s1
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0.600 -52.1n/an/an/an/an/a5.522



GSK



Assay Description
Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut...


J Med Chem 44: 725-36 (2001)


BindingDB Entry DOI: 10.7270/Q2J67F6C
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17380
PNG
(1,2,4-Triazole Compound, 38 | N-(4-chlorophenyl)-5...)
Show SMILES Fc1ccccc1CSc1nnc(Nc2ccc(Cl)cc2)[nH]1
Show InChI InChI=1S/C15H12ClFN4S/c16-11-5-7-12(8-6-11)18-14-19-15(21-20-14)22-9-10-3-1-2-4-13(10)17/h1-8H,9H2,(H2,18,19,20,21)
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0.610n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin L1


(Homo sapiens (Human))
BDBM19775
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1C[C@H](C)CN(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)12-21(30-27(34)24-14-19-8-4-5-9-23(19)37-24)26(33)29-20-13-18(3)15-31(16-22(20)32)38(35,36)25-10-6-7-11-28-25/h4-11,14,17-18,20-21H,12-13,15-16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21-/m0/s1
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Article
PubMed
0.630 -52.0n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17368
PNG
(1,2,4-Triazole Compound, 26 | 5-{[(2-fluorophenyl)...)
Show SMILES Cc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1
Show InChI InChI=1S/C16H15FN4S/c1-11-6-8-13(9-7-11)18-15-19-16(21-20-15)22-10-12-4-2-3-5-14(12)17/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.650 -51.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17408
PNG
(1,2,4-Triazole Compound, 66 | methyl 4-{[5-(benzyl...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccccc3)[nH]2)cc1
Show InChI InChI=1S/C17H16N4O2S/c1-23-15(22)13-7-9-14(10-8-13)18-16-19-17(21-20-16)24-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,18,19,20,21)
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0.700n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50408519
PNG
(CHEMBL115357)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C29H40N6O7/c1-19(2)15-23(30-28(39)41-17-21-11-7-5-8-12-21)25(36)32-34-27(38)35-33-26(37)24(16-20(3)4)31-29(40)42-18-22-13-9-6-10-14-22/h5-14,19-20,23-24H,15-18H2,1-4H3,(H,30,39)(H,31,40)(H,32,36)(H,33,37)(H2,34,35,38)/t23-,24-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)


Article DOI: 10.1021/jm980474x
BindingDB Entry DOI: 10.7270/Q2Q81F87
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17354
PNG
(1,2,4-Triazole Compound, 12 | N-phenyl-5-[(thiophe...)
Show SMILES C(Sc1nnc(Nc2ccccc2)[nH]1)c1cccs1
Show InChI InChI=1S/C13H12N4S2/c1-2-5-10(6-3-1)14-12-15-13(17-16-12)19-9-11-7-4-8-18-11/h1-8H,9H2,(H2,14,15,16,17)
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0.75 -51.6n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50408522
PNG
(CHEMBL126820)
Show SMILES CCC[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C28H38N6O7/c1-4-11-22(29-27(38)40-17-20-12-7-5-8-13-20)24(35)31-33-26(37)34-32-25(36)23(16-19(2)3)30-28(39)41-18-21-14-9-6-10-15-21/h5-10,12-15,19,22-23H,4,11,16-18H2,1-3H3,(H,29,38)(H,30,39)(H,31,35)(H,32,36)(H2,33,34,37)/t22-,23-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)


Article DOI: 10.1021/jm980474x
BindingDB Entry DOI: 10.7270/Q2Q81F87
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17418
PNG
(1,2,4-Triazole Compound, 76 | methyl 4-[(5-{[(5-me...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3cc(C)on3)[nH]2)cc1
Show InChI InChI=1S/C15H15N5O3S/c1-9-7-12(20-23-9)8-24-15-17-14(18-19-15)16-11-5-3-10(4-6-11)13(21)22-2/h3-7H,8H2,1-2H3,(H2,16,17,18,19)
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0.800n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17414
PNG
(1,2,4-Triazole Compound, 72 | methyl 4-({5-[(pyrid...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccncc3)[nH]2)cc1
Show InChI InChI=1S/C16H15N5O2S/c1-23-14(22)12-2-4-13(5-3-12)18-15-19-16(21-20-15)24-10-11-6-8-17-9-7-11/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.900n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17405
PNG
(1,2,4-Triazole Compound, 63 | N-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(Nc2nnc(SCC=C(C)C)[nH]2)cc1OC |(-9.75,8.7,;-8.21,8.7,;-7.44,7.37,;-8.21,6.03,;-7.44,4.7,;-5.9,4.7,;-4.75,3.67,;-3.29,4.15,;-2.81,5.61,;-1.27,5.61,;-.8,4.15,;.67,3.67,;1.81,4.7,;3.28,4.22,;4.42,5.25,;5.89,4.78,;4.1,6.76,;-2.04,3.24,;-5.13,6.03,;-5.9,7.37,;-5.13,8.7,;-5.9,10.03,)|
Show InChI InChI=1S/C15H20N4O2S/c1-10(2)7-8-22-15-17-14(18-19-15)16-11-5-6-12(20-3)13(9-11)21-4/h5-7,9H,8H2,1-4H3,(H2,16,17,18,19)
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0.900n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17413
PNG
(1,2,4-Triazole Compound, 71 | methyl 4-({5-[(pyrid...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccccn3)[nH]2)cc1
Show InChI InChI=1S/C16H15N5O2S/c1-23-14(22)11-5-7-12(8-6-11)18-15-19-16(21-20-15)24-10-13-4-2-3-9-17-13/h2-9H,10H2,1H3,(H2,18,19,20,21)
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0.900n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM50408520
PNG
(CHEMBL126352)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)NNC(=O)[C@H](C)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C26H34N6O7/c1-17(2)14-21(28-26(37)39-16-20-12-8-5-9-13-20)23(34)30-32-24(35)31-29-22(33)18(3)27-25(36)38-15-19-10-6-4-7-11-19/h4-13,17-18,21H,14-16H2,1-3H3,(H,27,36)(H,28,37)(H,29,33)(H,30,34)(H2,31,32,35)/t18-,21-/m0/s1
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1n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Relative binding affinity was measured for Cathepsin K


J Med Chem 41: 3923-7 (1998)


Article DOI: 10.1021/jm980474x
BindingDB Entry DOI: 10.7270/Q2Q81F87
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17468
PNG
(1,2,3-triazole analogue, 24 | 5-(3,4-dibromophenyl...)
Show SMILES Brc1ccc(cc1Br)-c1c[nH]nn1
Show InChI InChI=1S/C8H5Br2N3/c9-6-2-1-5(3-7(6)10)8-4-11-13-12-8/h1-4H,(H,11,12,13)
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1 -50.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17461
PNG
(1,2,3-triazole analogue, 17 | 5-(4-iodophenyl)-1H-...)
Show SMILES Ic1ccc(cc1)-c1c[nH]nn1
Show InChI InChI=1S/C8H6IN3/c9-7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
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1 -50.9n/an/an/an/an/a7.522



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 48: 5644-7 (2005)


Article DOI: 10.1021/jm050408c
BindingDB Entry DOI: 10.7270/Q26M3537
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17446
PNG
((3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-m...)
Show SMILES [H][C@@]1([#6@H](-[#8]-[#6])-[#6@@H](-[#6]-[#6][C@]11[#6]-[#8]1)-[#8]-[#6](=O)-[#7]-[#6](=O)-[#6]Cl)[C@@]1([#6])[#8]-[#6@@H]1-[#6]\[#6]=[#6](\[#6])-[#6] |r|
Show InChI InChI=1S/C19H28ClNO6/c1-11(2)5-6-13-18(3,27-13)16-15(24-4)12(7-8-19(16)10-25-19)26-17(23)21-14(22)9-20/h5,12-13,15-16H,6-10H2,1-4H3,(H,21,22,23)/t12-,13-,15-,16-,18+,19+/m1/s1
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1n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17442
PNG
(1,2,4-Triazole Compound, 101 | 5-[(3-methylbut-2-e...)
Show SMILES CC(C)=CCSc1nnc(Nc2ccccc2)[nH]1 |(4.43,-.32,;3.66,1.01,;4.74,2.1,;2.12,1.01,;1.35,2.34,;-.19,2.34,;-1.1,3.59,;-.62,5.05,;-1.87,5.96,;-3.12,5.05,;-4.6,5.45,;-5.69,4.36,;-7.21,4.64,;-8.2,3.47,;-7.69,2.02,;-6.17,1.74,;-5.17,2.91,;-2.64,3.59,)|
Show InChI InChI=1S/C13H16N4S/c1-10(2)8-9-18-13-15-12(16-17-13)14-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H2,14,15,16,17)
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1n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17373
PNG
(1,2,4-Triazole Compound, 31 | 5-[(3-methylbut-2-en...)
Show SMILES CC(C)=CCSc1nnc(Nc2ccc(C)cc2)[nH]1 |(5.89,4.78,;4.42,5.25,;4.42,6.79,;3.28,4.22,;1.81,4.7,;.67,3.67,;-.8,4.15,;-1.27,5.61,;-2.81,5.61,;-3.29,4.15,;-4.75,3.67,;-5.9,4.7,;-5.13,6.03,;-5.9,7.37,;-7.44,7.37,;-8.21,8.7,;-8.21,6.03,;-7.44,4.7,;-2.04,3.24,)|
Show InChI InChI=1S/C14H18N4S/c1-10(2)8-9-19-14-16-13(17-18-14)15-12-6-4-11(3)5-7-12/h4-8H,9H2,1-3H3,(H2,15,16,17,18)
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1.20n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17412
PNG
(1,2,4-Triazole Compound, 70 | methyl 4-[(5-{[(3,4-...)
Show SMILES COC(=O)c1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1
Show InChI InChI=1S/C17H14F2N4O2S/c1-25-15(24)11-3-5-12(6-4-11)20-16-21-17(23-22-16)26-9-10-2-7-13(18)14(19)8-10/h2-8H,9H2,1H3,(H2,20,21,22,23)
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1.30n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17400
PNG
(1,2,4-Triazole Compound, 58 | N-(3,4-dimethoxyphen...)
Show SMILES COc1ccc(Nc2nnc(SCc3ccccc3F)[nH]2)cc1OC
Show InChI InChI=1S/C17H17FN4O2S/c1-23-14-8-7-12(9-15(14)24-2)19-16-20-17(22-21-16)25-10-11-5-3-4-6-13(11)18/h3-9H,10H2,1-2H3,(H2,19,20,21,22)
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1.30n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (Human))
BDBM50046665
PNG
(2-[4-(2,6-Dimethyl-4-oxo-3,4-dihydro-quinazolin-5-...)
Show SMILES Cc1nc2ccc(C)c(Sc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1S/C22H21N3O6S/c1-11-3-8-15-18(21(29)24-12(2)23-15)19(11)32-14-6-4-13(5-7-14)20(28)25-16(22(30)31)9-10-17(26)27/h3-8,16H,9-10H2,1-2H3,(H,25,28)(H,26,27)(H,30,31)(H,23,24,29)/t16-/m1/s1
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1.31n/an/an/an/an/an/an/an/a



Agouron Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Compound was tested for TS activity against human Thymidylate synthase by tight binding kinetics


J Med Chem 36: 733-46 (1993)


BindingDB Entry DOI: 10.7270/Q2HM57JF
More data for this
Ligand-Target Pair
Cathepsin K


(Homo sapiens (Human))
BDBM19780
PNG
((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@@H]1CC[C@@H](C)N(CC1=O)S(=O)(=O)c1ccccn1 |r|
Show InChI InChI=1S/C27H32N4O6S/c1-17(2)14-21(30-27(34)24-15-19-8-4-5-9-23(19)37-24)26(33)29-20-12-11-18(3)31(16-22(20)32)38(35,36)25-10-6-7-13-28-25/h4-10,13,15,17-18,20-21H,11-12,14,16H2,1-3H3,(H,29,33)(H,30,34)/t18-,20-,21+/m1/s1
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1.40 -50.0n/an/an/an/an/a5.522



GSK



Assay Description
Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo...


J Med Chem 49: 1597-612 (2006)


Article DOI: 10.1021/jm050915u
BindingDB Entry DOI: 10.7270/Q2SQ8XP5
More data for this
Ligand-Target Pair
Methionine aminopeptidase 2


(Homo sapiens (Human))
BDBM17381
PNG
(1,2,4-Triazole Compound, 39 | N-(4-chlorophenyl)-5...)
Show SMILES Fc1ccc(CSc2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1F
Show InChI InChI=1S/C15H11ClF2N4S/c16-10-2-4-11(5-3-10)19-14-20-15(22-21-14)23-8-9-1-6-12(17)13(18)7-9/h1-7H,8H2,(H2,19,20,21,22)
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1.5n/an/an/an/an/an/an/an/a



GSK



Assay Description
MetAP2 activity was monitored by measuring the initial velocity of turnover of the artificial substrate Met-AMC. Assays were performed in 96-well mi...


J Med Chem 50: 3777-85 (2007)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2B856D7
More data for this
Ligand-Target Pair
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