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Compile Data Set for Download or QSAR

Found 896 hits with Last Name = 'haslam' 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50264756
PNG
(CHEMBL485286 | N-(4-methyl-3-(3-(piperidin-4-yl)be...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(noc2c1)C1CCNCC1
Show InChI InChI=1S/C29H31N5O2/c1-19-4-6-23(32-29(35)22-10-13-31-27(17-22)34-14-2-3-15-34)18-25(19)21-5-7-24-26(16-21)36-33-28(24)20-8-11-30-12-9-20/h4-7,10,13,16-18,20,30H,2-3,8-9,11-12,14-15H2,1H3,(H,32,35)
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0.800n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12569
PNG
(GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...)
Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1
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1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
CHEMBL4104310
PNG
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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00055
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12557
PNG
(6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m0/s1
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1 -51.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50264993
PNG
(CHEMBL521722 | N-(6-methyl-4'-(5-methyl-1,2,4-oxad...)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
Show InChI InChI=1S/C26H25N5O2/c1-17-5-10-22(29-26(32)21-11-12-27-24(15-21)31-13-3-4-14-31)16-23(17)19-6-8-20(9-7-19)25-28-18(2)33-30-25/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,29,32)
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1.10n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50264755
PNG
(4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin...)
Show SMILES Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C30H32N4O3/c1-20-5-6-23(30(35)32-24-3-2-4-25(19-24)34-13-15-36-16-14-34)17-27(20)22-7-8-26-28(18-22)37-33-29(26)21-9-11-31-12-10-21/h2-8,17-19,21,31H,9-16H2,1H3,(H,32,35)
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1.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265035
PNG
(CHEMBL495729 | N-(2',6-dimethyl-4'-(5-methyl-1,3,4...)
Show SMILES Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
Show InChI InChI=1S/C27H27N5O2/c1-17-6-8-22(29-26(33)20-10-11-28-25(15-20)32-12-4-5-13-32)16-24(17)23-9-7-21(14-18(23)2)27-31-30-19(3)34-27/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,33)
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1.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12558
PNG
(6-chloro-N-methyl-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(p...)
Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C23H28ClN3O4S/c1-16(22(28)26-11-4-3-5-12-26)27-13-10-21(23(27)29)25(2)32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,21H,3-5,10-13H2,1-2H3/t16-,21-/m0/s1
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2 -49.7n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12567
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1
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2 -49.7n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265257
PNG
(CHEMBL498390 | N-(4-methyl-3-(1-oxo-1,2-dihydroiso...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2cc[nH]c(=O)c2c1
Show InChI InChI=1S/C26H24N4O2/c1-17-4-7-21(16-22(17)19-6-5-18-8-11-28-26(32)23(18)14-19)29-25(31)20-9-10-27-24(15-20)30-12-2-3-13-30/h4-11,14-16H,2-3,12-13H2,1H3,(H,28,32)(H,29,31)
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2.40n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265034
PNG
(2',6-dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)-N...)
Show SMILES Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C28H28N4O3/c1-18-7-8-21(27(33)29-23-5-4-6-24(17-23)32-11-13-34-14-12-32)16-26(18)25-10-9-22(15-19(25)2)28-31-30-20(3)35-28/h4-10,15-17H,11-14H2,1-3H3,(H,29,33)
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2.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265109
PNG
(CHEMBL525727 | N-cyclopropyl-4-methyl-3-(4-oxo-2-(...)
Show SMILES Cc1ccc(cc1-c1ccc2c(c1)nc([nH]c2=O)-c1cccs1)C(=O)NC1CC1
Show InChI InChI=1S/C23H19N3O2S/c1-13-4-5-15(22(27)24-16-7-8-16)11-18(13)14-6-9-17-19(12-14)25-21(26-23(17)28)20-3-2-10-29-20/h2-6,9-12,16H,7-8H2,1H3,(H,24,27)(H,25,26,28)
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2.90n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12568
PNG
(2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...)
Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H27ClN4O6S/c1-15(22(30)26-8-10-34-11-9-26)27-7-6-20(23(27)31)28(14-21(25)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H2,25,29)/t15-,20-/m0/s1
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3 -48.6n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12561
PNG
(N-[(3S)-1-[(2S)-1-{2-azabicyclo[2.2.2]octan-2-yl}-...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CC2CCC1CC2 |r,wD:1.0,5.5,(24.17,-11.35,;25.5,-12.12,;26.84,-11.35,;26.95,-9.81,;28.44,-9.44,;29.26,-10.75,;30.79,-10.86,;31.46,-12.25,;30.13,-13.02,;31.86,-13.74,;33,-12.25,;33.71,-10.88,;35.25,-10.81,;36.08,-12.11,;37.62,-12.04,;38.45,-13.34,;39.99,-13.27,;37.74,-14.71,;36.2,-14.78,;35.37,-13.48,;33.83,-13.55,;28.26,-11.93,;28.63,-13.42,;25.5,-13.66,;26.84,-14.43,;24.17,-14.43,;22.84,-13.66,;21.5,-14.43,;21.5,-15.97,;22.84,-16.74,;24.17,-15.97,;22.43,-15.88,;22.37,-15.08,)|
Show InChI InChI=1S/C24H28ClN3O4S/c1-15(23(29)28-14-16-2-7-20(28)8-3-16)27-11-10-22(24(27)30)26-33(31,32)21-9-5-17-12-19(25)6-4-18(17)13-21/h4-6,9,12-13,15-16,20,22,26H,2-3,7-8,10-11,14H2,1H3/t15-,16?,20?,22-/m0/s1
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3 -48.6n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265371
PNG
(CHEMBL497563 | N-cyclopropyl-4-methyl-3-(3-(piperi...)
Show SMILES Cc1ccc(cc1-c1ccc2c(noc2c1)C1CCNCC1)C(=O)NC1CC1
Show InChI InChI=1S/C23H25N3O2/c1-14-2-3-17(23(27)25-18-5-6-18)12-20(14)16-4-7-19-21(13-16)28-26-22(19)15-8-10-24-11-9-15/h2-4,7,12-13,15,18,24H,5-6,8-11H2,1H3,(H,25,27)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265260
PNG
(3-(isoquinolin-7-yl)-4-methyl-N-(3-morpholinopheny...)
Show SMILES Cc1ccc(cc1-c1ccc2ccncc2c1)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C27H25N3O2/c1-19-5-6-22(16-26(19)21-8-7-20-9-10-28-18-23(20)15-21)27(31)29-24-3-2-4-25(17-24)30-11-13-32-14-12-30/h2-10,15-18H,11-14H2,1H3,(H,29,31)
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4.5n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265071
PNG
(3-(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)-4-met...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(N)[nH]c(=O)c2c1)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C26H25N5O3/c1-16-5-6-18(14-21(16)17-7-8-23-22(13-17)25(33)30-26(27)29-23)24(32)28-19-3-2-4-20(15-19)31-9-11-34-12-10-31/h2-8,13-15H,9-12H2,1H3,(H,28,32)(H3,27,29,30,33)
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4.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265154
PNG
(CHEMBL521734 | N-cyclopropyl-3-(3-(cyclopropylmeth...)
Show SMILES Cc1ccc(cc1-c1ccc2c(c1)nnn(CC1CC1)c2=O)C(=O)NC1CC1
Show InChI InChI=1S/C22H22N4O2/c1-13-2-5-16(21(27)23-17-7-8-17)10-19(13)15-6-9-18-20(11-15)24-25-26(22(18)28)12-14-3-4-14/h2,5-6,9-11,14,17H,3-4,7-8,12H2,1H3,(H,23,27)
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6n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12538
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1
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6 -46.9n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265155
PNG
(CHEMBL496528 | N-cyclopropyl-4-methyl-3-(4-oxo-2-(...)
Show SMILES Cc1ccc(cc1-c1ccc2c(c1)oc(cc2=O)-c1cccs1)C(=O)NC1CC1
Show InChI InChI=1S/C24H19NO3S/c1-14-4-5-16(24(27)25-17-7-8-17)11-19(14)15-6-9-18-20(26)13-22(28-21(18)12-15)23-3-2-10-29-23/h2-6,9-13,17H,7-8H2,1H3,(H,25,27)
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6.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50264958
PNG
(CHEMBL526452 | N-(4'-(2-aminothiazol-4-yl)-6-methy...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc(cc1)-c1csc(N)n1
Show InChI InChI=1S/C26H25N5OS/c1-17-4-9-21(29-25(32)20-10-11-28-24(14-20)31-12-2-3-13-31)15-22(17)18-5-7-19(8-6-18)23-16-33-26(27)30-23/h4-11,14-16H,2-3,12-13H2,1H3,(H2,27,30)(H,29,32)
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6.70n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265072
PNG
(CHEMBL521548 | N-(3-(2-amino-4-oxo-3,4-dihydroquin...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2nc(N)[nH]c(=O)c2c1
Show InChI InChI=1S/C25H24N6O2/c1-15-4-6-18(28-23(32)17-8-9-27-22(13-17)31-10-2-3-11-31)14-19(15)16-5-7-21-20(12-16)24(33)30-25(26)29-21/h4-9,12-14H,2-3,10-11H2,1H3,(H,28,32)(H3,26,29,30,33)
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6.80n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265033
PNG
(CHEMBL522579 | N-cyclopropyl-2',6-dimethyl-4'-(5-m...)
Show SMILES Cc1nnc(o1)-c1ccc(c(C)c1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6,9-11,17H,7-8H2,1-3H3,(H,22,25)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12566
PNG
(6-chloro-N-methyl-N-[(3S)-1-[(2S)-1-(morpholin-4-y...)
Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C22H26ClN3O5S/c1-15(21(27)25-9-11-31-12-10-25)26-8-7-20(22(26)28)24(2)32(29,30)19-6-4-16-13-18(23)5-3-17(16)14-19/h3-6,13-15,20H,7-12H2,1-2H3/t15-,20-/m0/s1
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10 -45.7n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265112
PNG
(CHEMBL496943 | N-(3-(3-butyl-2,4-dioxo-1,2,3,4-tet...)
Show SMILES CCCCn1c(=O)[nH]c2cc(ccc2c1=O)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
Show InChI InChI=1S/C29H31N5O3/c1-3-4-15-34-28(36)23-10-8-20(16-25(23)32-29(34)37)24-18-22(9-7-19(24)2)31-27(35)21-11-12-30-26(17-21)33-13-5-6-14-33/h7-12,16-18H,3-6,13-15H2,1-2H3,(H,31,35)(H,32,37)
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11n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265259
PNG
(CHEMBL526639 | N-cyclopropyl-3-(isoquinolin-7-yl)-...)
Show SMILES Cc1ccc(cc1-c1ccc2ccncc2c1)C(=O)NC1CC1
Show InChI InChI=1S/C20H18N2O/c1-13-2-3-16(20(23)22-18-6-7-18)11-19(13)15-5-4-14-8-9-21-12-17(14)10-15/h2-5,8-12,18H,6-7H2,1H3,(H,22,23)
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11n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265369
PNG
(CHEMBL497352 | N-(3-(3-aminobenzo[d]isoxazol-6-yl)...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2c(N)noc2c1
Show InChI InChI=1S/C24H23N5O2/c1-15-4-6-18(14-20(15)16-5-7-19-21(12-16)31-28-23(19)25)27-24(30)17-8-9-26-22(13-17)29-10-2-3-11-29/h4-9,12-14H,2-3,10-11H2,1H3,(H2,25,28)(H,27,30)
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12n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12562
PNG
(6-chloro-N-[(3S)-1-[(2S)-1-[(1R,5S)-3,7-diazabicyc...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1C[C@H]2CNC[C@H](C2)C1 |r|
Show InChI InChI=1S/C24H29ClN4O4S/c1-15(23(30)28-13-16-8-17(14-28)12-26-11-16)29-7-6-22(24(29)31)27-34(32,33)21-5-3-18-9-20(25)4-2-19(18)10-21/h2-5,9-10,15-17,22,26-27H,6-8,11-14H2,1H3/t15-,16-,17+,22-/m0/s1
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13 -45.0n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50377985
PNG
(CHEMBL1964268)
Show SMILES CC(=O)Nc1cc(n[nH]1)-c1ccc(cc1)-c1cc(NC(=O)c2ccnc(c2)N2CCCC2)ccc1C
Show InChI InChI=1S/C28H28N6O2/c1-18-5-10-23(31-28(36)22-11-12-29-27(15-22)34-13-3-4-14-34)16-24(18)20-6-8-21(9-7-20)25-17-26(33-32-25)30-19(2)35/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,31,36)(H2,30,32,33,35)
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14n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12574
PNG
(6-chloro-N-[(3R)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...)
Show SMILES C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20+/m0/s1
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16 -44.5n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50264992
PNG
(6-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-m...)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C27H26N4O3/c1-18-6-7-22(16-25(18)20-8-10-21(11-9-20)26-28-19(2)34-30-26)27(32)29-23-4-3-5-24(17-23)31-12-14-33-15-13-31/h3-11,16-17H,12-15H2,1-2H3,(H,29,32)
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17n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265110
PNG
(3-(3-butyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-...)
Show SMILES CCCCn1c(=O)[nH]c2cc(ccc2c1=O)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C23H25N3O3/c1-3-4-11-26-22(28)18-10-7-15(13-20(18)25-23(26)29)19-12-16(6-5-14(19)2)21(27)24-17-8-9-17/h5-7,10,12-13,17H,3-4,8-9,11H2,1-2H3,(H,24,27)(H,25,29)
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18n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265198
PNG
(4-methyl-N-(3-morpholinophenyl)-3-(1-oxo-1,2-dihyd...)
Show SMILES Cc1ccc(cc1-c1ccc2cc[nH]c(=O)c2c1)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C27H25N3O3/c1-18-5-6-21(16-24(18)20-8-7-19-9-10-28-27(32)25(19)15-20)26(31)29-22-3-2-4-23(17-22)30-11-13-33-14-12-30/h2-10,15-17H,11-14H2,1H3,(H,28,32)(H,29,31)
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18n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265368
PNG
(3-(3-aminobenzo[d]isoxazol-6-yl)-4-methyl-N-(3-mor...)
Show SMILES Cc1ccc(cc1-c1ccc2c(N)noc2c1)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C25H24N4O3/c1-16-5-6-18(13-22(16)17-7-8-21-23(14-17)32-28-24(21)26)25(30)27-19-3-2-4-20(15-19)29-9-11-31-12-10-29/h2-8,13-15H,9-12H2,1H3,(H2,26,28)(H,27,30)
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19n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265111
PNG
(3-(3-butyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-...)
Show SMILES CCCCn1c(=O)[nH]c2cc(ccc2c1=O)-c1cc(ccc1C)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C30H32N4O4/c1-3-4-12-34-29(36)25-11-10-21(18-27(25)32-30(34)37)26-17-22(9-8-20(26)2)28(35)31-23-6-5-7-24(19-23)33-13-15-38-16-14-33/h5-11,17-19H,3-4,12-16H2,1-2H3,(H,31,35)(H,32,37)
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19n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50264957
PNG
(4'-(2-aminothiazol-4-yl)-6-methyl-N-(3-morpholinop...)
Show SMILES Cc1ccc(cc1-c1ccc(cc1)-c1csc(N)n1)C(=O)Nc1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C27H26N4O2S/c1-18-5-6-21(15-24(18)19-7-9-20(10-8-19)25-17-34-27(28)30-25)26(32)29-22-3-2-4-23(16-22)31-11-13-33-14-12-31/h2-10,15-17H,11-14H2,1H3,(H2,28,30)(H,29,32)
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20n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12573
PNG
(6-chloro-N-[(3R)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-...)
Show SMILES C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m1/s1
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40 -42.2n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
CHEMBL4091152
PNG
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45n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00055
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265195
PNG
(CHEMBL495917 | N-(4-methyl-3-(2-oxo-1,2-dihydroqui...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)N2CCCC2)cc1-c1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C26H24N4O2/c1-17-4-7-21(16-22(17)18-5-8-23-19(14-18)6-9-25(31)29-23)28-26(32)20-10-11-27-24(15-20)30-12-2-3-13-30/h4-11,14-16H,2-3,12-13H2,1H3,(H,28,32)(H,29,31)
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49n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265070
PNG
(3-(2-amino-4-oxo-3,4-dihydroquinazolin-6-yl)-N-cyc...)
Show SMILES Cc1ccc(cc1-c1ccc2nc(N)[nH]c(=O)c2c1)C(=O)NC1CC1
Show InChI InChI=1S/C19H18N4O2/c1-10-2-3-12(17(24)21-13-5-6-13)9-14(10)11-4-7-16-15(8-11)18(25)23-19(20)22-16/h2-4,7-9,13H,5-6H2,1H3,(H,21,24)(H3,20,22,23,25)
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49n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12560
PNG
(6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(pyrrolidin...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCC1 |r|
Show InChI InChI=1S/C21H24ClN3O4S/c1-14(20(26)24-9-2-3-10-24)25-11-8-19(21(25)27)23-30(28,29)18-7-5-15-12-17(22)6-4-16(15)13-18/h4-7,12-14,19,23H,2-3,8-11H2,1H3/t14-,19-/m0/s1
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50 -41.7n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
CHEMBL4091152
PNG
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50n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.7b00055
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12571
PNG
(6-chloro-N-[(3R)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19+/m0/s1
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53 -41.5n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12554
PNG
(N-[(3S)-1-[2-(azepan-1-yl)-2-oxoethyl]-2-oxopyrrol...)
Show SMILES CN([C@H]1CCN(CC(=O)N2CCCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
Show InChI InChI=1S/C23H28ClN3O4S/c1-25(32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20)21-10-13-27(23(21)29)16-22(28)26-11-4-2-3-5-12-26/h6-9,14-15,21H,2-5,10-13,16H2,1H3/t21-/m0/s1
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60 -41.2n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12556
PNG
(6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(piperidin-1-yl)...)
Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(CC(=O)N2CCCCC2)C1=O |r|
Show InChI InChI=1S/C21H24ClN3O4S/c22-17-6-4-16-13-18(7-5-15(16)12-17)30(28,29)23-19-8-11-25(21(19)27)14-20(26)24-9-2-1-3-10-24/h4-7,12-13,19,23H,1-3,8-11,14H2/t19-/m0/s1
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63 -41.1n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12555
PNG
(6-chloro-N-methyl-N-[(3S)-2-oxo-1-[2-oxo-2-(piperi...)
Show SMILES CN([C@H]1CCN(CC(=O)N2CCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-24(31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19)20-9-12-26(22(20)28)15-21(27)25-10-3-2-4-11-25/h5-8,13-14,20H,2-4,9-12,15H2,1H3/t20-/m0/s1
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72 -40.8n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12570
PNG
(6-chloro-N-[(3R)-1-[(2R)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m1/s1
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82 -40.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12575
PNG
(6-chloro-N-[(3S)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-...)
Show SMILES C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r|
Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20+/m1/s1
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82 -40.4n/an/an/an/an/a7.825



GlaxoSmithKline



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...


Bioorg Med Chem Lett 16: 3784-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.053
BindingDB Entry DOI: 10.7270/Q2416V9V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50265325
PNG
(CHEMBL495902 | N-cyclopropyl-3-(1H-indazol-5-yl)-4...)
Show SMILES Cc1ccc(cc1-c1ccc2[nH]ncc2c1)C(=O)NC1CC1
Show InChI InChI=1S/C18H17N3O/c1-11-2-3-13(18(22)20-15-5-6-15)9-16(11)12-4-7-17-14(8-12)10-19-21-17/h2-4,7-10,15H,5-6H2,1H3,(H,19,21)(H,20,22)
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87n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50264991
PNG
(CHEMBL496130 | N-cyclopropyl-6-methyl-4'-(5-methyl...)
Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1cc(ccc1C)C(=O)NC1CC1
Show InChI InChI=1S/C20H19N3O2/c1-12-3-4-16(20(24)22-17-9-10-17)11-18(12)14-5-7-15(8-6-14)19-21-13(2)25-23-19/h3-8,11,17H,9-10H2,1-2H3,(H,22,24)
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98n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of fluorescent ATP competitive ligand from p38alpha


Bioorg Med Chem Lett 18: 5285-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.051
BindingDB Entry DOI: 10.7270/Q28K7B0R
More data for this
Ligand-Target Pair
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