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PubMed code 21443196

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
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))
BDBM12746
PNG
(6-[4-(2-methanesulfonylphenyl)phenyl]-1-(4-methoxy...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C27H22F3N3O4S/c1-37-20-13-11-19(12-14-20)33-24-22(25(31-33)27(28,29)30)15-16-32(26(24)34)18-9-7-17(8-10-18)21-5-3-4-6-23(21)38(2,35)36/h3-14H,15-16H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12743
PNG
(6-[4-(2-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}phe...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)-c1ccccc1CN1CC[C@@H](O)C1)C(F)(F)F |r|
Show InChI InChI=1S/C31H29F3N4O3/c1-41-25-12-10-23(11-13-25)38-28-27(29(35-38)31(32,33)34)15-17-37(30(28)40)22-8-6-20(7-9-22)26-5-3-2-4-21(26)18-36-16-14-24(39)19-36/h2-13,24,39H,14-19H2,1H3/t24-/m1/s1
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0.501n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13286
PNG
(4-Hydroxy-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfon...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2O)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H24N4O5S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)26-20-8-9-27(23(20)29)13-17-10-15(22(24)25)4-7-21(17)28/h2-7,10-12,20,26,28H,8-9,13H2,1H3,(H3,24,25)/t20-/m0/s1
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3.16n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19018
PNG
(6-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-3-...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(cc1)N(C)C)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O2/c1-27(2)14-4-6-15(7-5-14)28-13-12-18-19(21(28)30)29(26-20(18)22(23,24)25)16-8-10-17(31-3)11-9-16/h4-11H,12-13H2,1-3H3
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6.31n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081002
PNG
(4-Amino-3-[3-((S)-7-methoxy-naphthalene-2-sulfonyl...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2cc(ccc2N)C(N)=N)C1=O
Show InChI InChI=1S/C23H25N5O4S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)27-21-8-9-28(23(21)29)13-17-10-15(22(25)26)4-7-20(17)24/h2-7,10-12,21,27H,8-9,13,24H2,1H3,(H3,25,26)
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6.31n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13288
PNG
(Sulfonamidopyrrolidinone 27 | methyl 2-(4-carbamim...)
Show SMILES COC(=O)COc1ccc(cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O)C(N)=N |r|
Show InChI InChI=1S/C26H28N4O7S/c1-35-20-6-3-16-4-7-21(13-18(16)12-20)38(33,34)29-22-9-10-30(26(22)32)14-19-11-17(25(27)28)5-8-23(19)37-15-24(31)36-2/h3-8,11-13,22,29H,9-10,14-15H2,1-2H3,(H3,27,28)/t22-/m0/s1
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7.94n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13668
PNG
(3-Oxybenzamide 54 | 4-chloro-3-[2-(4-chlorophenyl)...)
Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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12.6n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13615
PNG
(3-Oxybenzamide 1 | 4-chloro-3-[2-(5-chloropyridin-...)
Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)nc1
Show InChI InChI=1S/C25H26Cl2N4O2/c26-20-2-3-21(29-17-20)9-14-33-24-15-19(1-4-23(24)27)25(32)30-16-18-7-12-31(13-8-18)22-5-10-28-11-6-22/h1-6,10-11,15,17-18H,7-9,12-14,16H2,(H,30,32)
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19.9n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13619
PNG
(3-Oxybenzamide 5 | 3-[2-(4-bromophenyl)ethoxy]-4-c...)
Show SMILES Clc1ccc(cc1OCCc1ccc(Br)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27BrClN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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39.8n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13667
PNG
(3-Oxybenzamide 53 | 4-chloro-3-[2-(2,4-dichlorophe...)
Show SMILES Clc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c(Cl)c1
Show InChI InChI=1S/C26H26Cl3N3O2/c27-21-3-1-19(24(29)16-21)9-14-34-25-15-20(2-4-23(25)28)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,31,33)
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39.8n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13618
PNG
(3-Oxybenzamide 4 | 3-[2-(5-chloropyridin-2-yl)etho...)
Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cn1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C25H26ClFN4O2/c26-20-2-3-21(29-17-20)9-14-33-24-15-19(1-4-23(24)27)25(32)30-16-18-7-12-31(13-8-18)22-5-10-28-11-6-22/h1-6,10-11,15,17-18H,7-9,12-14,16H2,(H,30,32)
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39.8n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13617
PNG
(3-Oxybenzamide 3 | 3-[2-(4-chlorophenyl)ethoxy]-4-...)
Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27ClFN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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39.8n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081006
PNG
(3-[3-((S)-7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)
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50.1n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13616
PNG
(3-Oxybenzamide 2 | 3-[2-(2,4-dichlorophenyl)ethoxy...)
Show SMILES Fc1ccc(cc1OCCc1ccc(Cl)cc1Cl)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H26Cl2FN3O2/c27-21-3-1-19(23(28)16-21)9-14-34-25-15-20(2-4-24(25)29)26(33)31-17-18-7-12-32(13-8-18)22-5-10-30-11-6-22/h1-6,10-11,15-16,18H,7-9,12-14,17H2,(H,31,33)
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50.1n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13629
PNG
(3-Oxybenzamide 15 | 3-[2-(4-bromophenyl)ethoxy]-4-...)
Show SMILES Fc1ccc(cc1OCCc1ccc(Br)cc1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27BrFN3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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79.4n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13620
PNG
(3-Oxybenzamide 6 | 4-chloro-3-[2-(4-fluorophenyl)e...)
Show SMILES Fc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H27ClFN3O2/c27-24-6-3-21(17-25(24)33-16-11-19-1-4-22(28)5-2-19)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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100n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13621
PNG
(3-Oxybenzamide 7 | 4-chloro-3-[2-(4-methylphenyl)e...)
Show SMILES Cc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30ClN3O2/c1-20-2-4-21(5-3-20)12-17-33-26-18-23(6-7-25(26)28)27(32)30-19-22-10-15-31(16-11-22)24-8-13-29-14-9-24/h2-9,13-14,18,22H,10-12,15-17,19H2,1H3,(H,30,32)
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126n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13631
PNG
(3-Oxybenzamide 17 | 4-fluoro-3-[2-(4-methylphenyl)...)
Show SMILES Cc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30FN3O2/c1-20-2-4-21(5-3-20)12-17-33-26-18-23(6-7-25(26)28)27(32)30-19-22-10-15-31(16-11-22)24-8-13-29-14-9-24/h2-9,13-14,18,22H,10-12,15-17,19H2,1H3,(H,30,32)
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200n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13630
PNG
(3-Oxybenzamide 16 | 4-fluoro-3-[2-(4-fluorophenyl)...)
Show SMILES Fc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H27F2N3O2/c27-22-4-1-19(2-5-22)11-16-33-25-17-21(3-6-24(25)28)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18H2,(H,30,32)
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200n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19015
PNG
(N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(NC(C)=O)cc1)C(F)(F)F
Show InChI InChI=1S/C22H19F3N4O3/c1-13(30)26-14-3-5-15(6-4-14)28-12-11-18-19(21(28)31)29(27-20(18)22(23,24)25)16-7-9-17(32-2)10-8-16/h3-10H,11-12H2,1-2H3,(H,26,30)
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200n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13622
PNG
(3-Oxybenzamide 8 | 4-chloro-3-[2-(4-methoxyphenyl)...)
Show SMILES COc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30ClN3O3/c1-33-24-5-2-20(3-6-24)12-17-34-26-18-22(4-7-25(26)28)27(32)30-19-21-10-15-31(16-11-21)23-8-13-29-14-9-23/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32)
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316n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13632
PNG
(3-Oxybenzamide 18 | 4-fluoro-3-[2-(4-methoxyphenyl...)
Show SMILES COc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C27H30FN3O3/c1-33-24-5-2-20(3-6-24)12-17-34-26-18-22(4-7-25(26)28)27(32)30-19-21-10-15-31(16-11-21)23-8-13-29-14-9-23/h2-9,13-14,18,21H,10-12,15-17,19H2,1H3,(H,30,32)
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316n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13626
PNG
(3-Oxybenzamide 12 | 3-[2-(4-aminophenyl)ethoxy]-4-...)
Show SMILES Nc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H29ClN4O2/c27-24-6-3-21(17-25(24)33-16-11-19-1-4-22(28)5-2-19)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18,28H2,(H,30,32)
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398n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13634
PNG
(3-Oxybenzamide 20 | 3-[2-(3-chlorophenyl)ethoxy]-4...)
Show SMILES Fc1ccc(cc1OCCc1cccc(Cl)c1)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C26H27ClFN3O2/c27-22-3-1-2-19(16-22)10-15-33-25-17-21(4-5-24(25)28)26(32)30-18-20-8-13-31(14-9-20)23-6-11-29-12-7-23/h1-7,11-12,16-17,20H,8-10,13-15,18H2,(H,30,32)
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631n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13287
PNG
(2-Hydroxy-5-[3-(S)-(7-methoxynaphthalen-2-ylsulfon...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2ccc(O)c(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H24N4O5S/c1-32-17-5-3-15-4-6-18(12-16(15)11-17)33(30,31)26-20-8-9-27(23(20)29)13-14-2-7-21(28)19(10-14)22(24)25/h2-7,10-12,20,26,28H,8-9,13H2,1H3,(H3,24,25)/t20-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13285
PNG
(3-Amino-5-[3-(S)-(7-methoxynaphthalen-2-ylsulfonyl...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(N)cc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H25N5O4S/c1-32-19-4-2-15-3-5-20(12-16(15)11-19)33(30,31)27-21-6-7-28(23(21)29)13-14-8-17(22(25)26)10-18(24)9-14/h2-5,8-12,21,27H,6-7,13,24H2,1H3,(H3,25,26)/t21-/m0/s1
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1.26E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50418332
PNG
(CHEMBL1766822)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)NC1CCN(Cc2cc(ccc2OCC([O-])=O)C(N)=[NH2+])C1=O
Show InChI InChI=1S/C25H26N4O7S/c1-35-19-5-2-15-3-6-20(12-17(15)11-19)37(33,34)28-21-8-9-29(25(21)32)13-18-10-16(24(26)27)4-7-22(18)36-14-23(30)31/h2-7,10-12,21,28H,8-9,13-14H2,1H3,(H3,26,27)(H,30,31)
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1.26E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13636
PNG
(3-Oxybenzamide 22 | 3-[2-(4-aminophenyl)ethoxy]-4-...)
Show SMILES Nc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C26H29FN4O2/c27-24-6-3-21(17-25(24)33-16-11-19-1-4-22(28)5-2-19)26(32)30-18-20-9-14-31(15-10-20)23-7-12-29-13-8-23/h1-8,12-13,17,20H,9-11,14-16,18,28H2,(H,30,32)
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1.58E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13623
PNG
(3-Oxybenzamide 9 | 4-chloro-3-[2-(4-cyanophenyl)et...)
Show SMILES Clc1ccc(cc1OCCc1ccc(cc1)C#N)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H27ClN4O2/c28-25-6-5-23(17-26(25)34-16-11-20-1-3-21(18-29)4-2-20)27(33)31-19-22-9-14-32(15-10-22)24-7-12-30-13-8-24/h1-8,12-13,17,22H,9-11,14-16,19H2,(H,31,33)
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1.58E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM19014
PNG
(6-(4-aminophenyl)-1-(4-methoxyphenyl)-3-(trifluoro...)
Show SMILES COc1ccc(cc1)-n1nc(c2CCN(C(=O)c12)c1ccc(N)cc1)C(F)(F)F
Show InChI InChI=1S/C20H17F3N4O2/c1-29-15-8-6-14(7-9-15)27-17-16(18(25-27)20(21,22)23)10-11-26(19(17)28)13-4-2-12(24)3-5-13/h2-9H,10-11,24H2,1H3
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1.58E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13624
PNG
(3-Oxybenzamide 10 | 4-chloro-3-[2-(3-chlorophenyl)...)
Show SMILES Clc1cccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C26H27Cl2N3O2/c27-22-3-1-2-19(16-22)10-15-33-25-17-21(4-5-24(25)28)26(32)30-18-20-8-13-31(14-9-20)23-6-11-29-12-7-23/h1-7,11-12,16-17,20H,8-10,13-15,18H2,(H,30,32)
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2.00E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13625
PNG
(3-Oxybenzamide 11 | 4-chloro-3-[2-(3-methoxyphenyl...)
Show SMILES COc1cccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C27H30ClN3O3/c1-33-24-4-2-3-20(17-24)11-16-34-26-18-22(5-6-25(26)28)27(32)30-19-21-9-14-31(15-10-21)23-7-12-29-13-8-23/h2-8,12-13,17-18,21H,9-11,14-16,19H2,1H3,(H,30,32)
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2.51E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13635
PNG
(3-Oxybenzamide 21 | 4-fluoro-3-[2-(3-methoxyphenyl...)
Show SMILES COc1cccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)c1
Show InChI InChI=1S/C27H30FN3O3/c1-33-24-4-2-3-20(17-24)11-16-34-26-18-22(5-6-25(26)28)27(32)30-19-21-9-14-31(15-10-21)23-7-12-29-13-8-23/h2-8,12-13,17-18,21H,9-11,14-16,19H2,1H3,(H,30,32)
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3.16E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13627
PNG
(3-Oxybenzamide 13 | tert-butyl N-(4-{2-[2-chloro-5...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C31H37ClN4O4/c1-31(2,3)40-30(38)35-25-7-4-22(5-8-25)14-19-39-28-20-24(6-9-27(28)32)29(37)34-21-23-12-17-36(18-13-23)26-10-15-33-16-11-26/h4-11,15-16,20,23H,12-14,17-19,21H2,1-3H3,(H,34,37)(H,35,38)
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5.01E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13633
PNG
(3-Oxybenzamide 19 | 3-[2-(4-cyanophenyl)ethoxy]-4-...)
Show SMILES Fc1ccc(cc1OCCc1ccc(cc1)C#N)C(=O)NCC1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C27H27FN4O2/c28-25-6-5-23(17-26(25)34-16-11-20-1-3-21(18-29)4-2-20)27(33)31-19-22-9-14-32(15-10-22)24-7-12-30-13-8-24/h1-8,12-13,17,22H,9-11,14-16,19H2,(H,31,33)
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5.01E+3n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13638
PNG
(3-Oxybenzamide 24 | 3-[2-(4-acetamidophenyl)ethoxy...)
Show SMILES CC(=O)Nc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C28H31FN4O3/c1-20(34)32-24-5-2-21(3-6-24)12-17-36-27-18-23(4-7-26(27)29)28(35)31-19-22-10-15-33(16-11-22)25-8-13-30-14-9-25/h2-9,13-14,18,22H,10-12,15-17,19H2,1H3,(H,31,35)(H,32,34)
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1.00E+4n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13628
PNG
(3-Oxybenzamide 14 | 4-chloro-3-[2-(4-acetamidophen...)
Show SMILES CC(=O)Nc1ccc(CCOc2cc(ccc2Cl)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C28H31ClN4O3/c1-20(34)32-24-5-2-21(3-6-24)12-17-36-27-18-23(4-7-26(27)29)28(35)31-19-22-10-15-33(16-11-22)25-8-13-30-14-9-25/h2-9,13-14,18,22H,10-12,15-17,19H2,1H3,(H,31,35)(H,32,34)
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Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13637
PNG
(3-Oxybenzamide 23 | tert-butyl N-(4-{2-[2-fluoro-5...)
Show SMILES CC(C)(C)OC(=O)Nc1ccc(CCOc2cc(ccc2F)C(=O)NCC2CCN(CC2)c2ccncc2)cc1
Show InChI InChI=1S/C31H37FN4O4/c1-31(2,3)40-30(38)35-25-7-4-22(5-8-25)14-19-39-28-20-24(6-9-27(28)32)29(37)34-21-23-12-17-36(18-13-23)26-10-15-33-16-11-26/h4-11,15-16,20,23H,12-14,17-19,21H2,1-3H3,(H,34,37)(H,35,38)
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Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Rheinische Friedrich-Wilhelms-Universita£t

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a


J Med Chem 54: 2944-51 (2011)


Article DOI: 10.1021/jm200026b
BindingDB Entry DOI: 10.7270/Q2ZG6TGM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%