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Compile Data Set for Download or QSAR

Found 177 hits with Last Name = 'schlatter' and Initial = 'd'   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50295588
PNG
(5-chloro-N-((3S,4S)-1-(2-(2-fluoro-4-(2-oxopyridin...)
Show SMILES CO[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C23H22ClFN4O4S/c1-33-18-12-28(11-17(18)27-23(32)19-7-8-20(24)34-19)13-21(30)26-16-6-5-14(10-15(16)25)29-9-3-2-4-22(29)31/h2-10,17-18H,11-13H2,1H3,(H,26,30)(H,27,32)/t17-,18-/m0/s1
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3n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50295583
PNG
(4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cn1cnc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O
Show InChI InChI=1S/C20H14ClFN6O3S/c21-16-7-6-15(32-16)19(31)25-20-23-11-27(26-20)10-17(29)24-14-5-4-12(9-13(14)22)28-8-2-1-3-18(28)30/h1-9,11H,10H2,(H,24,29)(H,25,26,31)
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6n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50295581
PNG
(4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cn1ccc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O
Show InChI InChI=1S/C21H15ClFN5O3S/c22-17-7-6-16(32-17)21(31)25-18-8-10-27(26-18)12-19(29)24-15-5-4-13(11-14(15)23)28-9-2-1-3-20(28)30/h1-11H,12H2,(H,24,29)(H,25,26,31)
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6n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295585
PNG
((R)-4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2...)
Show SMILES Fc1cc(ccc1NC(=O)CN1CC[C@H](C1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O |r|
Show InChI InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m1/s1
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8n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50295587
PNG
(5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[...)
Show SMILES O[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C22H20ClFN4O4S/c23-19-7-6-18(33-19)22(32)26-16-10-27(11-17(16)29)12-20(30)25-15-5-4-13(9-14(15)24)28-8-2-1-3-21(28)31/h1-9,16-17,29H,10-12H2,(H,25,30)(H,26,32)/t16-,17-/m0/s1
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10n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50295589
PNG
(5-chloro-N-((3S,4S)-4-ethoxy-1-(2-(2-fluoro-4-(2-o...)
Show SMILES CCO[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C24H24ClFN4O4S/c1-2-34-19-13-29(12-18(19)28-24(33)20-8-9-21(25)35-20)14-22(31)27-17-7-6-15(11-16(17)26)30-10-4-3-5-23(30)32/h3-11,18-19H,2,12-14H2,1H3,(H,27,31)(H,28,33)/t18-,19-/m0/s1
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10n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295584
PNG
(4-chloro-N-(2-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cn1nnc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O
Show InChI InChI=1S/C19H13ClFN7O3S/c20-15-7-6-14(32-15)18(31)23-19-24-26-28(25-19)10-16(29)22-13-5-4-11(9-12(13)21)27-8-2-1-3-17(27)30/h1-9H,10H2,(H,22,29)(H,23,25,31)
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11n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295593
PNG
((+/-)5-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(...)
Show SMILES CC1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)CC1NC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C23H22ClFN4O3S/c1-14-11-28(12-18(14)27-23(32)19-7-8-20(24)33-19)13-21(30)26-17-6-5-15(10-16(17)25)29-9-3-2-4-22(29)31/h2-10,14,18H,11-13H2,1H3,(H,26,30)(H,27,32)
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14n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295579
PNG
(5-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O
Show InChI InChI=1S/C21H14ClFN4O3S2/c22-17-7-6-16(32-17)20(30)26-21-24-12(11-31-21)9-18(28)25-15-5-4-13(10-14(15)23)27-8-2-1-3-19(27)29/h1-8,10-11H,9H2,(H,25,28)(H,24,26,30)
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18n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295590
PNG
(5-chloro-N-((3S,4S)-4-(2,2-difluoroethoxy)-1-(2-(2...)
Show SMILES FC(F)CO[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C24H22ClF3N4O4S/c25-20-7-6-19(37-20)24(35)30-17-10-31(11-18(17)36-13-21(27)28)12-22(33)29-16-5-4-14(9-15(16)26)32-8-2-1-3-23(32)34/h1-9,17-18,21H,10-13H2,(H,29,33)(H,30,35)/t17-,18-/m0/s1
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20n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295591
PNG
(5-chloro-N-((3S,4S)-1-(2-(2-fluoro-4-(2-oxopyridin...)
Show SMILES OCCO[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C24H24ClFN4O5S/c25-21-7-6-20(36-21)24(34)28-18-12-29(13-19(18)35-10-9-31)14-22(32)27-17-5-4-15(11-16(17)26)30-8-2-1-3-23(30)33/h1-8,11,18-19,31H,9-10,12-14H2,(H,27,32)(H,28,34)/t18-,19-/m0/s1
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22n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295592
PNG
(5-chloro-N-((3R,4S)-1-(2-(2-fluoro-4-(2-oxopyridin...)
Show SMILES OC[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C23H22ClFN4O4S/c24-20-7-6-19(34-20)23(33)27-18-11-28(10-14(18)13-30)12-21(31)26-17-5-4-15(9-16(17)25)29-8-2-1-3-22(29)32/h1-9,14,18,30H,10-13H2,(H,26,31)(H,27,33)/t14-,18+/m1/s1
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27n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295595
PNG
(5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FL...)
Show SMILES F[C@H]1CN(CC(=O)Nc2ccc(cc2F)-n2ccccc2=O)C[C@@H]1NC(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C22H19ClF2N4O3S/c23-19-7-6-18(33-19)22(32)27-17-11-28(10-15(17)25)12-20(30)26-16-5-4-13(9-14(16)24)29-8-2-1-3-21(29)31/h1-9,15,17H,10-12H2,(H,26,30)(H,27,32)/t15-,17-/m0/s1
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31n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50295578
PNG
(5-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1
Show InChI InChI=1S/C20H26ClN5O2S2/c1-24-6-4-15(5-7-24)25-8-10-26(11-9-25)18(27)12-14-13-29-20(22-14)23-19(28)16-2-3-17(21)30-16/h2-3,13,15H,4-12H2,1H3,(H,22,23,28)
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32n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295594
PNG
((+/-)-5-chloro-N-(4-cyclopropyl-1-(2-(2-fluoro-4-(...)
Show SMILES Fc1cc(ccc1NC(=O)CN1CC(NC(=O)c2ccc(Cl)s2)C(C1)C1CC1)-n1ccccc1=O
Show InChI InChI=1S/C25H24ClFN4O3S/c26-22-9-8-21(35-22)25(34)29-20-13-30(12-17(20)15-4-5-15)14-23(32)28-19-7-6-16(11-18(19)27)31-10-2-1-3-24(31)33/h1-3,6-11,15,17,20H,4-5,12-14H2,(H,28,32)(H,29,34)
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43n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295580
PNG
(4-chloro-N-(1-(2-(4-(1-methylpiperidin-4-yl)pipera...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cn1ccc(NC(=O)c2ccc(Cl)s2)n1
Show InChI InChI=1S/C20H27ClN6O2S/c1-24-7-4-15(5-8-24)25-10-12-26(13-11-25)19(28)14-27-9-6-18(23-27)22-20(29)16-2-3-17(21)30-16/h2-3,6,9,15H,4-5,7-8,10-14H2,1H3,(H,22,23,29)
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74n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295599
PNG
((2S,4R)-4-(5-chlorothiophene-2-carboxamido)-N-(cyc...)
Show SMILES Fc1cc(ccc1NC(=O)CN1C[C@@H](C[C@H]1C(=O)NCC1CC1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O |r|
Show InChI InChI=1S/C27H27ClFN5O4S/c28-23-9-8-22(39-23)27(38)31-17-11-21(26(37)30-13-16-4-5-16)33(14-17)15-24(35)32-20-7-6-18(12-19(20)29)34-10-2-1-3-25(34)36/h1-3,6-10,12,16-17,21H,4-5,11,13-15H2,(H,30,37)(H,31,38)(H,32,35)/t17-,21+/m1/s1
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93n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50295597
PNG
(5-chloro-N-((3R,5S)-1-(2-(2-fluoro-4-(2-oxopyridin...)
Show SMILES COC[C@@H]1C[C@H](CN1CC(=O)Nc1ccc(cc1F)-n1ccccc1=O)NC(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C24H24ClFN4O4S/c1-34-14-17-10-15(27-24(33)20-7-8-21(25)35-20)12-29(17)13-22(31)28-19-6-5-16(11-18(19)26)30-9-3-2-4-23(30)32/h2-9,11,15,17H,10,12-14H2,1H3,(H,27,33)(H,28,31)/t15-,17+/m1/s1
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94n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295596
PNG
(5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[...)
Show SMILES OC[C@@H]1C[C@H](CN1CC(=O)Nc1ccc(cc1F)-n1ccccc1=O)NC(=O)c1ccc(Cl)s1 |r|
Show InChI InChI=1S/C23H22ClFN4O4S/c24-20-7-6-19(34-20)23(33)26-14-9-16(13-30)28(11-14)12-21(31)27-18-5-4-15(10-17(18)25)29-8-2-1-3-22(29)32/h1-8,10,14,16,30H,9,11-13H2,(H,26,33)(H,27,31)/t14-,16+/m1/s1
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95n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50295577
PNG
(5-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-y...)
Show SMILES Clc1ccc(s1)C(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1
Show InChI InChI=1S/C20H24ClN5O3S2/c21-16-4-3-15(31-16)19(29)23-20-22-14(13-30-20)11-17(27)26-9-7-24(8-10-26)12-18(28)25-5-1-2-6-25/h3-4,13H,1-2,5-12H2,(H,22,23,29)
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99n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295576
PNG
(4-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)-n1ccccc1=O
Show InChI InChI=1S/C23H16ClFN4O3S/c24-15-6-4-14(5-7-15)22(32)28-23-26-16(13-33-23)11-20(30)27-19-9-8-17(12-18(19)25)29-10-2-1-3-21(29)31/h1-10,12-13H,11H2,(H,27,30)(H,26,28,32)
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112n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295598
PNG
(5-chloro-N-((3R,5S)-1-(2-(2-fluoro-4-(2-oxopyridin...)
Show SMILES Fc1cc(ccc1NC(=O)CN1C[C@@H](C[C@H]1CN1CCCC1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O |r|
Show InChI InChI=1S/C27H29ClFN5O3S/c28-24-9-8-23(38-24)27(37)30-18-13-20(16-32-10-3-4-11-32)33(15-18)17-25(35)31-22-7-6-19(14-21(22)29)34-12-2-1-5-26(34)36/h1-2,5-9,12,14,18,20H,3-4,10-11,13,15-17H2,(H,30,37)(H,31,35)/t18-,20+/m1/s1
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132n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295575
PNG
(4-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H28ClN5O2S/c1-26-8-6-19(7-9-26)27-10-12-28(13-11-27)20(29)14-18-15-31-22(24-18)25-21(30)16-2-4-17(23)5-3-16/h2-5,15,19H,6-14H2,1H3,(H,24,25,30)
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162n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295582
PNG
(4-chloro-N-(1-(2-(4-(1-methylpiperidin-4-yl)pipera...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cn1cnc(NC(=O)c2ccc(Cl)s2)n1
Show InChI InChI=1S/C19H26ClN7O2S/c1-24-6-4-14(5-7-24)25-8-10-26(11-9-25)17(28)12-27-13-21-19(23-27)22-18(29)15-2-3-16(20)30-15/h2-3,13-14H,4-12H2,1H3,(H,22,23,29)
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175n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295574
PNG
(4-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-y...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1
Show InChI InChI=1S/C22H26ClN5O3S/c23-17-5-3-16(4-6-17)21(31)25-22-24-18(15-32-22)13-19(29)28-11-9-26(10-12-28)14-20(30)27-7-1-2-8-27/h3-6,15H,1-2,7-14H2,(H,24,25,31)
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442n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50295586
PNG
((S)-4-chloro-N-(1-(2-(2-fluoro-4-(2-oxopyridin-1(2...)
Show SMILES Fc1cc(ccc1NC(=O)CN1CC[C@@H](C1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O |r|
Show InChI InChI=1S/C22H20ClFN4O3S/c23-19-7-6-18(32-19)22(31)25-14-8-10-27(12-14)13-20(29)26-17-5-4-15(11-16(17)24)28-9-2-1-3-21(28)30/h1-7,9,11,14H,8,10,12-13H2,(H,25,31)(H,26,29)/t14-/m0/s1
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1.27E+3n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50295574
PNG
(4-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-y...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1
Show InChI InChI=1S/C22H26ClN5O3S/c23-17-5-3-16(4-6-17)21(31)25-22-24-18(15-32-22)13-19(29)28-11-9-26(10-12-28)14-20(30)27-7-1-2-8-27/h3-6,15H,1-2,7-14H2,(H,24,25,31)
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2.80E+3n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50295577
PNG
(5-chloro-N-(4-(2-oxo-2-(4-(2-oxo-2-(pyrrolidin-1-y...)
Show SMILES Clc1ccc(s1)C(=O)Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1
Show InChI InChI=1S/C20H24ClN5O3S2/c21-16-4-3-15(31-16)19(29)23-20-22-14(13-30-20)11-17(27)26-9-7-24(8-10-26)12-18(28)25-5-1-2-6-25/h3-4,13H,1-2,5-12H2,(H,22,23,29)
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5.90E+3n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50295575
PNG
(4-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H28ClN5O2S/c1-26-8-6-19(7-9-26)27-10-12-28(13-11-27)20(29)14-18-15-31-22(24-18)25-21(30)16-2-4-17(23)5-3-16/h2-5,15,19H,6-14H2,1H3,(H,24,25,30)
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8.60E+3n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50295578
PNG
(5-chloro-N-(4-(2-(4-(1-methylpiperidin-4-yl)pipera...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1
Show InChI InChI=1S/C20H26ClN5O2S2/c1-24-6-4-15(5-7-24)25-8-10-26(11-9-25)18(27)12-14-13-29-20(22-14)23-19(28)16-2-3-17(21)30-16/h2-3,13,15H,4-12H2,1H3,(H,22,23,28)
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1.53E+4n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50295579
PNG
(5-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)s2)n1)-n1ccccc1=O
Show InChI InChI=1S/C21H14ClFN4O3S2/c22-17-7-6-16(32-17)20(30)26-21-24-12(11-31-21)9-18(28)25-15-5-4-13(10-14(15)23)27-8-2-1-3-19(27)29/h1-8,10-11H,9H2,(H,25,28)(H,24,26,30)
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>3.50E+4n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50295576
PNG
(4-chloro-N-(4-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-y...)
Show SMILES Fc1cc(ccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)-n1ccccc1=O
Show InChI InChI=1S/C23H16ClFN4O3S/c24-15-6-4-14(5-7-15)22(32)28-23-26-16(13-33-23)11-20(30)27-19-9-8-17(12-18(19)25)29-10-2-1-3-21(29)31/h1-10,12-13H,11H2,(H,27,30)(H,26,28,32)
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>3.50E+4n/an/an/an/an/an/an/an/a



F Hoffmann - La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to thrombin


Eur J Med Chem 44: 2787-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.12.025
BindingDB Entry DOI: 10.7270/Q2CV4HSP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277469
PNG
(2-(S)-2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-...)
Show SMILES CC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C29H28N2O5/c1-19(32)24-10-6-7-11-26(24)30-27(29(33)34)18-21-12-14-23(15-13-21)35-17-16-25-20(2)36-28(31-25)22-8-4-3-5-9-22/h3-15,27,30H,16-18H2,1-2H3,(H,33,34)/t27-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277933
PNG
((S)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)b...)
Show SMILES CCCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C26H27NO5S/c1-3-13-30-23(26(28)29)16-19-9-10-22(20-12-15-33-24(19)20)31-14-11-21-17(2)32-25(27-21)18-7-5-4-6-8-18/h4-10,12,15,23H,3,11,13-14,16H2,1-2H3,(H,28,29)/t23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277974
PNG
((S)-2-(cyclopropylmethoxy)-3-(4-(2-(5-methyl-2-phe...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](OCC2CC2)C(O)=O)c2sccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C27H27NO5S/c1-17-22(28-26(33-17)19-5-3-2-4-6-19)11-13-31-23-10-9-20(25-21(23)12-14-34-25)15-24(27(29)30)32-16-18-7-8-18/h2-6,9-10,12,14,18,24H,7-8,11,13,15-16H2,1H3,(H,29,30)/t24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277900
PNG
((S)-3-(4-(2-(2-(4-isopropylphenyl)-5-methyloxazol-...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(cc2)C(C)C)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C27H29NO5S/c1-16(2)18-5-7-19(8-6-18)26-28-22(17(3)33-26)11-13-32-23-10-9-20(15-24(31-4)27(29)30)25-21(23)12-14-34-25/h5-10,12,14,16,24H,11,13,15H2,1-4H3,(H,29,30)/t24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277821
PNG
(2-(hexyloxy)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl...)
Show SMILES CCCCCCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C29H33NO5S/c1-3-4-5-9-16-33-26(29(31)32)19-22-12-13-25(23-15-18-36-27(22)23)34-17-14-24-20(2)35-28(30-24)21-10-7-6-8-11-21/h6-8,10-13,15,18,26H,3-5,9,14,16-17,19H2,1-2H3,(H,31,32)
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n/an/a 2n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277820
PNG
(2-isobutoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)...)
Show SMILES CC(C)COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C27H29NO5S/c1-17(2)16-32-24(27(29)30)15-20-9-10-23(21-12-14-34-25(20)21)31-13-11-22-18(3)33-26(28-22)19-7-5-4-6-8-19/h4-10,12,14,17,24H,11,13,15-16H2,1-3H3,(H,29,30)
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n/an/a 3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277931
PNG
((S)-3-(4-(2-(2-(3,5-dimethoxyphenyl)-5-methyloxazo...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(OC)cc(OC)c2)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C26H27NO7S/c1-15-21(27-25(34-15)17-11-18(30-2)14-19(12-17)31-3)7-9-33-22-6-5-16(13-23(32-4)26(28)29)24-20(22)8-10-35-24/h5-6,8,10-12,14,23H,7,9,13H2,1-4H3,(H,28,29)/t23-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277934
PNG
((S)-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)b...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)c2sccc12)-c1ccccc1 |r|
Show InChI InChI=1S/C25H22F3NO5S/c1-15-19(29-23(34-15)16-5-3-2-4-6-16)9-11-32-20-8-7-17(22-18(20)10-12-35-22)13-21(24(30)31)33-14-25(26,27)28/h2-8,10,12,21H,9,11,13-14H2,1H3,(H,30,31)/t21-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277975
PNG
((S)-3-(4-(2-(2-(biphenyl-4-yl)-5-methyloxazol-4-yl...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C31H29NO5S/c1-3-35-28(31(33)34)19-24-13-14-27(25-16-18-38-29(24)25)36-17-15-26-20(2)37-30(32-26)23-11-9-22(10-12-23)21-7-5-4-6-8-21/h4-14,16,18,28H,3,15,17,19H2,1-2H3,(H,33,34)/t28-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277819
PNG
(3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo...)
Show SMILES CCCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C26H27NO5S/c1-3-13-30-23(26(28)29)16-19-9-10-22(20-12-15-33-24(19)20)31-14-11-21-17(2)32-25(27-21)18-7-5-4-6-8-18/h4-10,12,15,23H,3,11,13-14,16H2,1-2H3,(H,28,29)
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n/an/a 4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277976
PNG
((S)-2-(cyclopropylmethoxy)-3-(4-(2-(2-(4-isopropyl...)
Show SMILES CC(C)c1ccc(cc1)-c1nc(CCOc2ccc(C[C@H](OCC3CC3)C(O)=O)c3sccc23)c(C)o1 |r|
Show InChI InChI=1S/C30H33NO5S/c1-18(2)21-6-8-22(9-7-21)29-31-25(19(3)36-29)12-14-34-26-11-10-23(28-24(26)13-15-37-28)16-27(30(32)33)35-17-20-4-5-20/h6-11,13,15,18,20,27H,4-5,12,14,16-17H2,1-3H3,(H,32,33)/t27-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277861
PNG
(3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)napht...)
Show SMILES CCCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccccc12)C(O)=O
Show InChI InChI=1S/C28H29NO5/c1-3-16-32-26(28(30)31)18-21-13-14-25(23-12-8-7-11-22(21)23)33-17-15-24-19(2)34-27(29-24)20-9-5-4-6-10-20/h4-14,26H,3,15-18H2,1-2H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277783
PNG
(2-ethoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)eth...)
Show SMILES CCOC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C25H25NO5S/c1-3-29-22(25(27)28)15-18-9-10-21(19-12-14-32-23(18)19)30-13-11-20-16(2)31-24(26-20)17-7-5-4-6-8-17/h4-10,12,14,22H,3,11,13,15H2,1-2H3,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50278029
PNG
((S)-3-(4-(2-(2-(biphenyl-4-yl)-5-methyloxazol-4-yl...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)c2ccccc12)-c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C33H28F3NO5/c1-21-28(37-31(42-21)24-13-11-23(12-14-24)22-7-3-2-4-8-22)17-18-40-29-16-15-25(26-9-5-6-10-27(26)29)19-30(32(38)39)41-20-33(34,35)36/h2-16,30H,17-20H2,1H3,(H,38,39)/t30-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277899
PNG
((S)-3-(4-(2-(2-(3,5-dimethylphenyl)-5-methyloxazol...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cc(C)cc(C)c2)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C26H27NO5S/c1-15-11-16(2)13-19(12-15)25-27-21(17(3)32-25)7-9-31-22-6-5-18(14-23(30-4)26(28)29)24-20(22)8-10-33-24/h5-6,8,10-13,23H,7,9,14H2,1-4H3,(H,28,29)/t23-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50278067
PNG
((S)-2-methoxy-3-(7-(2-(5-methyl-2-phenyloxazol-4-y...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2sccc12)C(O)=O |r|
Show InChI InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)18-11-13-31-22(18)20/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50278068
PNG
((S)-2-ethoxy-3-(7-(2-(5-methyl-2-phenyloxazol-4-yl...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2sccc12)C(O)=O |r|
Show InChI InChI=1S/C25H25NO5S/c1-3-29-22(25(27)28)15-18-9-10-21(23-19(18)12-14-32-23)30-13-11-20-16(2)31-24(26-20)17-7-5-4-6-8-17/h4-10,12,14,22H,3,11,13,15H2,1-2H3,(H,27,28)/t22-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50277973
PNG
((S)-2-ethoxy-3-(4-(2-(5-methyl-2-(4-(trifluorometh...)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(cc2)C(F)(F)F)c2ccsc12)C(O)=O |r|
Show InChI InChI=1S/C26H24F3NO5S/c1-3-33-22(25(31)32)14-17-6-9-21(19-11-13-36-23(17)19)34-12-10-20-15(2)35-24(30-20)16-4-7-18(8-5-16)26(27,28)29/h4-9,11,13,22H,3,10,12,14H2,1-2H3,(H,31,32)/t22-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...


Bioorg Med Chem Lett 19: 2468-73 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.036
BindingDB Entry DOI: 10.7270/Q2QC03C3
More data for this
Ligand-Target Pair
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