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Compile Data Set for Download or QSAR

Found 390 hits with Last Name = 'panday' and Initial = 'n'   
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


(Oryctolagus cuniculus)
BDBM50324743
PNG
((3R,4R)-1-(2,2-DIFLUORO-ETHYL)-PYRROLIDINE-3,4-DIC...)
Show SMILES FC(F)CN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H21ClF3N5O3/c25-14-4-7-21(29-10-14)31-24(36)17-12-32(13-20(27)28)11-16(17)23(35)30-19-6-5-15(9-18(19)26)33-8-2-1-3-22(33)34/h1-10,16-17,20H,11-13H2,(H,30,35)(H,29,31,36)/t16-,17-/m0/s1
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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rabbit factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
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))
BDBM50324757
PNG
((3R,4R)-N3-(4-chlorophenyl)-1-(N,N-dimethylsulfamo...)
Show SMILES CN(C)S(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H25ClFN5O5S/c1-30(2)38(36,37)31-14-19(24(34)28-17-8-6-16(26)7-9-17)20(15-31)25(35)29-22-11-10-18(13-21(22)27)32-12-4-3-5-23(32)33/h3-13,19-20H,14-15H2,1-2H3,(H,28,34)(H,29,35)/t19-,20-/m0/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324771
PNG
((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(CC(F)(F)F)C[C@@H]1C(=O)Nc1ccc(Cl)cn1)-n1ccccc1=O |r|
Show InChI InChI=1S/C24H20ClF4N5O3/c25-14-4-7-20(30-10-14)32-23(37)17-12-33(13-24(27,28)29)11-16(17)22(36)31-19-6-5-15(9-18(19)26)34-8-2-1-3-21(34)35/h1-10,16-17H,11-13H2,(H,31,36)(H,30,32,37)/t16-,17-/m0/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324755
PNG
((3R,4R)-N-(4-CHLOROPHENYL)-N'-[2-FLUORO-4-(2-OXOPY...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(CC(F)(F)F)C[C@@H]1C(=O)Nc1ccc(Cl)cc1)-n1ccccc1=O |r|
Show InChI InChI=1S/C25H21ClF4N4O3/c26-15-4-6-16(7-5-15)31-23(36)18-12-33(14-25(28,29)30)13-19(18)24(37)32-21-9-8-17(11-20(21)27)34-10-2-1-3-22(34)35/h1-11,18-19H,12-14H2,(H,31,36)(H,32,37)/t18-,19-/m0/s1
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9n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324752
PNG
((3R,4R)-N3-(4-chlorophenyl)-1-(2,2-difluoroethyl)-...)
Show SMILES FC(F)CN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H22ClF3N4O3/c26-15-4-6-16(7-5-15)30-24(35)18-12-32(14-22(28)29)13-19(18)25(36)31-21-9-8-17(11-20(21)27)33-10-2-1-3-23(33)34/h1-11,18-19,22H,12-14H2,(H,30,35)(H,31,36)/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324754
PNG
((3R,4R)-1-SULFAMOYL-PYRROLIDINE-3,4-DICARBOXYLIC A...)
Show SMILES NS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H21ClFN5O5S/c24-14-4-6-15(7-5-14)27-22(32)17-12-29(36(26,34)35)13-18(17)23(33)28-20-9-8-16(11-19(20)25)30-10-2-1-3-21(30)31/h1-11,17-18H,12-13H2,(H,27,32)(H,28,33)(H2,26,34,35)/t17-,18-/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324758
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES CC(C)S(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26ClFN4O5S/c1-16(2)38(36,37)31-14-20(25(34)29-18-8-6-17(27)7-9-18)21(15-31)26(35)30-23-11-10-19(13-22(23)28)32-12-4-3-5-24(32)33/h3-13,16,20-21H,14-15H2,1-2H3,(H,29,34)(H,30,35)/t20-,21-/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324767
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(Cc2cccs2)C[C@@H]1C(=O)Nc1ccc(Cl)cc1)-n1ccccc1=O |r|
Show InChI InChI=1S/C28H24ClFN4O3S/c29-18-6-8-19(9-7-18)31-27(36)22-16-33(15-21-4-3-13-38-21)17-23(22)28(37)32-25-11-10-20(14-24(25)30)34-12-2-1-5-26(34)35/h1-14,22-23H,15-17H2,(H,31,36)(H,32,37)/t22-,23-/m0/s1
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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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324749
PNG
((3R,4R)-N3-(4-chlorophenyl)-1-(ethylsulfonyl)-N4-(...)
Show SMILES CCS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H24ClFN4O5S/c1-2-37(35,36)30-14-19(24(33)28-17-8-6-16(26)7-9-17)20(15-30)25(34)29-22-11-10-18(13-21(22)27)31-12-4-3-5-23(31)32/h3-13,19-20H,2,14-15H2,1H3,(H,28,33)(H,29,34)/t19-,20-/m0/s1
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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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324787
PNG
((3R,4R)-N3-(4-chlorophenyl)-1-(methylsulfonyl)-N4-...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H23ClN4O5S/c1-35(33,34)28-14-20(23(31)26-17-7-5-16(25)6-8-17)21(15-28)24(32)27-18-9-11-19(12-10-18)29-13-3-2-4-22(29)30/h2-13,20-21H,14-15H2,1H3,(H,26,31)(H,27,32)/t20-,21-/m0/s1
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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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324744
PNG
((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...)
Show SMILES CC(C)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C25H25ClFN5O3/c1-15(2)31-13-18(19(14-31)25(35)30-22-9-6-16(26)12-28-22)24(34)29-21-8-7-17(11-20(21)27)32-10-4-3-5-23(32)33/h3-12,15,18-19H,13-14H2,1-2H3,(H,29,34)(H,28,30,35)/t18-,19-/m0/s1
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15n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324746
PNG
((3R,4R)-1-METHANESULFONYL-PYRROLIDINE-3,4-DICARBOX...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H22ClFN4O5S/c1-36(34,35)29-13-18(23(32)27-16-7-5-15(25)6-8-16)19(14-29)24(33)28-21-10-9-17(12-20(21)26)30-11-3-2-4-22(30)31/h2-12,18-19H,13-14H2,1H3,(H,27,32)(H,28,33)/t18-,19-/m0/s1
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15n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50324789
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(3-meth...)
Show SMILES Cc1cccn(-c2ccc(NC(=O)[C@H]3CN(C[C@@H]3C(=O)Nc3ccc(Cl)cc3)S(C)(=O)=O)c(F)c2)c1=O |r|
Show InChI InChI=1S/C25H24ClFN4O5S/c1-15-4-3-11-31(25(15)34)18-9-10-22(21(27)12-18)29-24(33)20-14-30(37(2,35)36)13-19(20)23(32)28-17-7-5-16(26)6-8-17/h3-12,19-20H,13-14H2,1-2H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1
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15n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324753
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES CC(C)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26ClFN4O3/c1-16(2)31-14-20(25(34)29-18-8-6-17(27)7-9-18)21(15-31)26(35)30-23-11-10-19(13-22(23)28)32-12-4-3-5-24(32)33/h3-13,16,20-21H,14-15H2,1-2H3,(H,29,34)(H,30,35)/t20-,21-/m0/s1
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17n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Oryctolagus cuniculus)
BDBM50324745
PNG
((3R,4R)-methyl 3-(5-chloropyridin-2-ylcarbamoyl)-4...)
Show SMILES COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H21ClFN5O5/c1-36-24(35)30-12-16(17(13-30)23(34)29-20-8-5-14(25)11-27-20)22(33)28-19-7-6-15(10-18(19)26)31-9-3-2-4-21(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,27,29,34)/t16-,17-/m0/s1
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17n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to rabbit factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324756
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(C[C@@H]1C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)CC(F)(F)F)-n1ccccc1=O |r|
Show InChI InChI=1S/C25H21ClF4N4O5S/c26-15-4-6-16(7-5-15)31-23(36)18-12-33(40(38,39)14-25(28,29)30)13-19(18)24(37)32-21-9-8-17(11-20(21)27)34-10-2-1-3-22(34)35/h1-11,18-19H,12-14H2,(H,31,36)(H,32,37)/t18-,19-/m0/s1
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17n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324762
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES CCCS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26ClFN4O5S/c1-2-13-38(36,37)31-15-20(25(34)29-18-8-6-17(27)7-9-18)21(16-31)26(35)30-23-11-10-19(14-22(23)28)32-12-4-3-5-24(32)33/h3-12,14,20-21H,2,13,15-16H2,1H3,(H,29,34)(H,30,35)/t20-,21-/m0/s1
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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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324769
PNG
((3R,4R)-N3-(5-chloropyridin-2-yl)-N4-(2-fluoro-4-(...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C23H21ClFN5O5S/c1-36(34,35)29-12-16(17(13-29)23(33)28-20-8-5-14(24)11-26-20)22(32)27-19-7-6-15(10-18(19)25)30-9-3-2-4-21(30)31/h2-11,16-17H,12-13H2,1H3,(H,27,32)(H,26,28,33)/t16-,17-/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324764
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES FCCN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H23ClF2N4O3/c26-16-4-6-17(7-5-16)29-24(34)19-14-31(12-10-27)15-20(19)25(35)30-22-9-8-18(13-21(22)28)32-11-2-1-3-23(32)33/h1-9,11,13,19-20H,10,12,14-15H2,(H,29,34)(H,30,35)/t19-,20-/m0/s1
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21n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324792
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-methyl-4-(2-oxop...)
Show SMILES Cc1cc(ccc1NC(=O)[C@H]1CN(C[C@@H]1C(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O)-n1ccccc1=O |r|
Show InChI InChI=1S/C25H25ClN4O5S/c1-16-13-19(30-12-4-3-5-23(30)31)10-11-22(16)28-25(33)21-15-29(36(2,34)35)14-20(21)24(32)27-18-8-6-17(26)7-9-18/h3-13,20-21H,14-15H2,1-2H3,(H,27,32)(H,28,33)/t20-,21-/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324751
PNG
((3R,4R)-methyl 3-(4-chlorophenylcarbamoyl)-4-(2-fl...)
Show SMILES COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H22ClFN4O5/c1-36-25(35)30-13-18(23(33)28-16-7-5-15(26)6-8-16)19(14-30)24(34)29-21-10-9-17(12-20(21)27)31-11-3-2-4-22(31)32/h2-12,18-19H,13-14H2,1H3,(H,28,33)(H,29,34)/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324742
PNG
((3R,4R)-N3-(5-chloropyridin-2-yl)-1-(ethylsulfonyl...)
Show SMILES CCS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H23ClFN5O5S/c1-2-37(35,36)30-13-17(18(14-30)24(34)29-21-9-6-15(25)12-27-21)23(33)28-20-8-7-16(11-19(20)26)31-10-4-3-5-22(31)32/h3-12,17-18H,2,13-14H2,1H3,(H,28,33)(H,27,29,34)/t17-,18-/m0/s1
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24n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324795
PNG
((3R,4R)-N3-(4-chlorophenyl)-1-(methylsulfonyl)-N4-...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1)N1CCOCC1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H25ClN4O6S/c1-35(32,33)27-12-19(22(30)25-16-4-2-15(24)3-5-16)20(13-27)23(31)26-17-6-8-18(9-7-17)28-10-11-34-14-21(28)29/h2-9,19-20H,10-14H2,1H3,(H,25,30)(H,26,31)/t19-,20-/m0/s1
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24n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324750
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES OCCN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H24ClFN4O4/c26-16-4-6-17(7-5-16)28-24(34)19-14-30(11-12-32)15-20(19)25(35)29-22-9-8-18(13-21(22)27)31-10-2-1-3-23(31)33/h1-10,13,19-20,32H,11-12,14-15H2,(H,28,34)(H,29,35)/t19-,20-/m0/s1
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24n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324745
PNG
((3R,4R)-methyl 3-(5-chloropyridin-2-ylcarbamoyl)-4...)
Show SMILES COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H21ClFN5O5/c1-36-24(35)30-12-16(17(13-30)23(34)29-20-8-5-14(25)11-27-20)22(33)28-19-7-6-15(10-18(19)26)31-9-3-2-4-21(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,27,29,34)/t16-,17-/m0/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324745
PNG
((3R,4R)-methyl 3-(5-chloropyridin-2-ylcarbamoyl)-4...)
Show SMILES COC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cn1 |r|
Show InChI InChI=1S/C24H21ClFN5O5/c1-36-24(35)30-12-16(17(13-30)23(34)29-20-8-5-14(25)11-27-20)22(33)28-19-7-6-15(10-18(19)26)31-9-3-2-4-21(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,27,29,34)/t16-,17-/m0/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324748
PNG
((3R,4R)-1-acetyl-N3-(4-chlorophenyl)-N4-(2-fluoro-...)
Show SMILES CC(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H22ClFN4O4/c1-15(32)30-13-19(24(34)28-17-7-5-16(26)6-8-17)20(14-30)25(35)29-22-10-9-18(12-21(22)27)31-11-3-2-4-23(31)33/h2-12,19-20H,13-14H2,1H3,(H,28,34)(H,29,35)/t19-,20-/m0/s1
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28n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324784
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2,6-difluoro-4-(2-...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1c(F)cc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H21ClF2N4O5S/c1-37(35,36)30-12-17(23(33)28-15-7-5-14(25)6-8-15)18(13-30)24(34)29-22-19(26)10-16(11-20(22)27)31-9-3-2-4-21(31)32/h2-11,17-18H,12-13H2,1H3,(H,28,33)(H,29,34)/t17-,18-/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


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
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))
BDBM50324765
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(Cc2ccncc2)C[C@@H]1C(=O)Nc1ccc(Cl)cc1)-n1ccccc1=O |r|
Show InChI InChI=1S/C29H25ClFN5O3/c30-20-4-6-21(7-5-20)33-28(38)23-17-35(16-19-10-12-32-13-11-19)18-24(23)29(39)34-26-9-8-22(15-25(26)31)36-14-2-1-3-27(36)37/h1-15,23-24H,16-18H2,(H,33,38)(H,34,39)/t23-,24-/m0/s1
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34n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324782
PNG
((3R,4R)-N3-(5-chlorothiophen-2-yl)-1-(2,2-difluoro...)
Show SMILES FC(F)CN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)s1 |r|
Show InChI InChI=1S/C23H20ClF3N4O3S/c24-18-6-7-20(35-18)29-23(34)15-11-30(12-19(26)27)10-14(15)22(33)28-17-5-4-13(9-16(17)25)31-8-2-1-3-21(31)32/h1-9,14-15,19H,10-12H2,(H,28,33)(H,29,34)/t14-,15-/m0/s1
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36n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324794
PNG
((3R,4R)-N3-(4-chlorophenyl)-1-(methylsulfonyl)-N4-...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cn1)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H22ClN5O5S/c1-35(33,34)28-13-18(22(31)26-16-7-5-15(24)6-8-16)19(14-28)23(32)27-20-10-9-17(12-25-20)29-11-3-2-4-21(29)30/h2-12,18-19H,13-14H2,1H3,(H,26,31)(H,25,27,32)/t18-,19-/m0/s1
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40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324790
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(3-fluoro-2'-(methy...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-c1ccccc1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H25ClFN3O6S2/c1-38(34,35)24-6-4-3-5-19(24)16-7-12-23(22(28)13-16)30-26(33)21-15-31(39(2,36)37)14-20(21)25(32)29-18-10-8-17(27)9-11-18/h3-13,20-21H,14-15H2,1-2H3,(H,29,32)(H,30,33)/t20-,21-/m0/s1
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40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324768
PNG
((3R,4R)-N3-(4-chlorophenyl)-1-(cyanomethyl)-N4-(2-...)
Show SMILES Fc1cc(ccc1NC(=O)[C@H]1CN(CC#N)C[C@@H]1C(=O)Nc1ccc(Cl)cc1)-n1ccccc1=O |r|
Show InChI InChI=1S/C25H21ClFN5O3/c26-16-4-6-17(7-5-16)29-24(34)19-14-31(12-10-28)15-20(19)25(35)30-22-9-8-18(13-21(22)27)32-11-2-1-3-23(32)33/h1-9,11,13,19-20H,12,14-15H2,(H,29,34)(H,30,35)/t19-,20-/m0/s1
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42n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50324788
PNG
((3R,4R)-N3-(4-chlorophenyl)-1-(methylsulfonyl)-N4-...)
Show SMILES CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cn1)-c1ccccc1S(C)(=O)=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H25ClN4O6S2/c1-37(33,34)22-6-4-3-5-19(22)16-7-12-23(27-13-16)29-25(32)21-15-30(38(2,35)36)14-20(21)24(31)28-18-10-8-17(26)9-11-18/h3-13,20-21H,14-15H2,1-2H3,(H,28,31)(H,27,29,32)/t20-,21-/m0/s1
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42n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
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))
BDBM50324766
PNG
((3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxop...)
Show SMILES COCCN1C[C@@H]([C@H](C1)C(=O)Nc1ccc(cc1F)-n1ccccc1=O)C(=O)Nc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H26ClFN4O4/c1-36-13-12-31-15-20(25(34)29-18-7-5-17(27)6-8-18)21(16-31)26(35)30-23-10-9-19(14-22(23)28)32-11-3-2-4-24(32)33/h2-11,14,20-21H,12-13,15-16H2,1H3,(H,29,34)(H,30,35)/t20-,21-/m0/s1
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44n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to factor 10a


Bioorg Med Chem Lett 20: 5313-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.126
BindingDB Entry DOI: 10.7270/Q2542NSG
More data for this
Ligand-Target Pair
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