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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'shigenaga' and Initial = 't'   
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))
BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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20n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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31n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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1.10E+4n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using chromogenic substrate S2302 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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1.70E+4n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using chromogenic substrate S2302 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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>1.00E+5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using chromogenic substrate S2238 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human thrombin using chromogenic substrate S2238 by dixon plot analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358251
PNG
(CHEMBL1922344)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1 |r|
Show InChI InChI=1S/C33H38N4O10/c1-36-15-4-16-37(18-17-36)21-11-7-19(8-12-21)31(42)35-25-23(34-30(41)20-9-13-22(45-2)14-10-20)5-3-6-24(25)46-33-28(40)26(38)27(39)29(47-33)32(43)44/h3,5-14,26-29,33,38-40H,4,15-18H2,1-2H3,(H,34,41)(H,35,42)(H,43,44)/t26-,27-,28+,29-,33+/m0/s1
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n/an/a 28.6n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358264
PNG
(CHEMBL1922234)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCN(C)CC1)C(O)=O
Show InChI InChI=1S/C28H30N4O5/c1-31-14-3-15-32(17-16-31)22-9-4-19(5-10-22)27(34)30-25-18-21(28(35)36)8-13-24(25)29-26(33)20-6-11-23(37-2)12-7-20/h4-13,18H,3,14-17H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 31.1n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358276
PNG
(CHEMBL1922342)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1NC(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C24H25ClN4O3S/c1-28-12-3-13-29(15-14-28)17-8-6-16(7-9-17)23(31)27-22-18(4-2-5-19(22)30)26-24(32)20-10-11-21(25)33-20/h2,4-11,30H,3,12-15H2,1H3,(H,26,32)(H,27,31)
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n/an/a 41.3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358275
PNG
(CHEMBL1922343)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1NC(=O)c1ccc(Br)s1
Show InChI InChI=1S/C24H25BrN4O3S/c1-28-12-3-13-29(15-14-28)17-8-6-16(7-9-17)23(31)27-22-18(4-2-5-19(22)30)26-24(32)20-10-11-21(25)33-20/h2,4-11,30H,3,12-15H2,1H3,(H,26,32)(H,27,31)
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n/an/a 41.4n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358265
PNG
(CHEMBL1922236)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(O)cc1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-14-3-15-31(17-16-30)21-8-4-19(5-9-21)27(34)29-25-18-22(32)10-13-24(25)28-26(33)20-6-11-23(35-2)12-7-20/h4-13,18,32H,3,14-17H2,1-2H3,(H,28,33)(H,29,34)
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n/an/a 50.3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358252
PNG
(CHEMBL1922235)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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n/an/a 54.6n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358272
PNG
(CHEMBL1922340)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1NC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C26H27BrN4O3/c1-30-14-3-15-31(17-16-30)21-12-8-19(9-13-21)26(34)29-24-22(4-2-5-23(24)32)28-25(33)18-6-10-20(27)11-7-18/h2,4-13,32H,3,14-17H2,1H3,(H,28,33)(H,29,34)
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n/an/a 59.8n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358259
PNG
(CHEMBL1922229)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(OC)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H32N4O4/c1-31-16-5-17-32(19-18-31)22-12-8-20(9-13-22)28(34)30-26-24(6-4-7-25(26)36-3)29-27(33)21-10-14-23(35-2)15-11-21/h4,6-15H,5,16-19H2,1-3H3,(H,29,33)(H,30,34)
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n/an/a 62.6n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358273
PNG
(CHEMBL1922339)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H27ClN4O3/c1-30-14-3-15-31(17-16-30)21-12-8-19(9-13-21)26(34)29-24-22(4-2-5-23(24)32)28-25(33)18-6-10-20(27)11-7-18/h2,4-13,32H,3,14-17H2,1H3,(H,28,33)(H,29,34)
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n/an/a 64.2n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358261
PNG
(CHEMBL1922230)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(OC)cc1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H32N4O4/c1-31-15-4-16-32(18-17-31)22-9-5-20(6-10-22)28(34)30-26-19-24(36-3)13-14-25(26)29-27(33)21-7-11-23(35-2)12-8-21/h5-14,19H,4,15-18H2,1-3H3,(H,29,33)(H,30,34)
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n/an/a 73.4n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358274
PNG
(CHEMBL1922341)
Show SMILES COc1ccc(s1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C25H28N4O4S/c1-28-13-4-14-29(16-15-28)18-9-7-17(8-10-18)24(31)27-23-19(5-3-6-20(23)30)26-25(32)21-11-12-22(33-2)34-21/h3,5-12,30H,4,13-16H2,1-2H3,(H,26,32)(H,27,31)
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n/an/a 86.1n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM31459
PNG
(CHEMBL224485 | substituted biphenyl derivative, 21)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H26N4O4/c1-15(2)14-29-24(31)17-9-12-20(22(13-17)26(33)34)19-5-3-4-6-21(19)25(32)30-18-10-7-16(8-11-18)23(27)28/h3-13,15H,14H2,1-2H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)
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n/an/a 89n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358254
PNG
(CHEMBL1922233)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(C(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H30N4O5/c1-31-15-4-16-32(18-17-31)21-11-7-19(8-12-21)27(34)30-25-23(28(35)36)5-3-6-24(25)29-26(33)20-9-13-22(37-2)14-10-20/h3,5-14H,4,15-18H2,1-2H3,(H,29,33)(H,30,34)(H,35,36)
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n/an/a 99.2n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358257
PNG
(CHEMBL1922226)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O3/c1-30-16-5-17-31(19-18-30)22-12-8-20(9-13-22)26(32)28-24-6-3-4-7-25(24)29-27(33)21-10-14-23(34-2)15-11-21/h3-4,6-15H,5,16-19H2,1-2H3,(H,28,32)(H,29,33)
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n/an/a 103n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358253
PNG
(CHEMBL1922240)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(OCCO)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C29H34N4O5/c1-32-15-4-16-33(18-17-32)23-11-7-21(8-12-23)29(36)31-27-25(5-3-6-26(27)38-20-19-34)30-28(35)22-9-13-24(37-2)14-10-22/h3,5-14,34H,4,15-20H2,1-2H3,(H,30,35)(H,31,36)
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n/an/a 106n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358262
PNG
(CHEMBL1922231)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(OC)ccc1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C28H32N4O4/c1-31-15-4-16-32(18-17-31)22-9-5-20(6-10-22)27(33)29-25-14-13-24(36-3)19-26(25)30-28(34)21-7-11-23(35-2)12-8-21/h5-14,19H,4,15-18H2,1-3H3,(H,29,33)(H,30,34)
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n/an/a 118n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358268
PNG
(CHEMBL1922239)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(OCC(O)=O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C29H32N4O6/c1-32-15-4-16-33(18-17-32)22-11-7-20(8-12-22)29(37)31-27-24(5-3-6-25(27)39-19-26(34)35)30-28(36)21-9-13-23(38-2)14-10-21/h3,5-14H,4,15-19H2,1-2H3,(H,30,36)(H,31,37)(H,34,35)
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n/an/a 123n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358260
PNG
(CHEMBL1922228)
Show SMILES COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cc1
Show InChI InChI=1S/C27H30N4O3/c1-30-16-5-17-31(19-18-30)22-12-8-20(9-13-22)26(32)29-25-7-4-3-6-24(25)27(33)28-21-10-14-23(34-2)15-11-21/h3-4,6-15H,5,16-19H2,1-2H3,(H,28,33)(H,29,32)
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n/an/a 140n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197327
PNG
(2'-({[3-(aminocarbonyl)phenyl]amino}carbonyl)-4-{[...)
Show SMILES CNc1ccc(c(c1)C(=O)Nc1cccc(c1)C(N)=O)-c1ccc(cc1C(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C29H30N4O7/c1-15(2)11-24(29(39)40)33-26(35)17-7-9-21(23(13-17)28(37)38)20-10-8-18(31-3)14-22(20)27(36)32-19-6-4-5-16(12-19)25(30)34/h4-10,12-15,24,31H,11H2,1-3H3,(H2,30,34)(H,32,36)(H,33,35)(H,37,38)(H,39,40)/t24-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358267
PNG
(CHEMBL1922238)
Show SMILES COc1ccc(cc1)C(=O)Nc1cccc(F)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H29FN4O3/c1-31-15-4-16-32(18-17-31)21-11-7-19(8-12-21)27(34)30-25-23(28)5-3-6-24(25)29-26(33)20-9-13-22(35-2)14-10-20/h3,5-14H,4,15-18H2,1-2H3,(H,29,33)(H,30,34)
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n/an/a 155n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358266
PNG
(CHEMBL1922237)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(O)ccc1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O4/c1-30-14-3-15-31(17-16-30)21-8-4-19(5-9-21)26(33)28-24-13-10-22(32)18-25(24)29-27(34)20-6-11-23(35-2)12-7-20/h4-13,18,32H,3,14-17H2,1-2H3,(H,28,33)(H,29,34)
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n/an/a 157n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197325
PNG
(4-({[(1S)-(aminocarbonyl)-3-methylbutyl]amino}-car...)
Show SMILES CNc1ccc(c(c1)C(=O)Nc1cccc(c1)C(N)=O)-c1ccc(cc1C(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C29H31N5O6/c1-15(2)11-24(26(31)36)34-27(37)17-7-9-21(23(13-17)29(39)40)20-10-8-18(32-3)14-22(20)28(38)33-19-6-4-5-16(12-19)25(30)35/h4-10,12-15,24,32H,11H2,1-3H3,(H2,30,35)(H2,31,36)(H,33,38)(H,34,37)(H,39,40)/t24-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358263
PNG
(CHEMBL1922232)
Show SMILES COc1ccc(cc1)C(=O)Nc1c(NC(=O)c2ccc(cc2)N2CCCN(C)CC2)cccc1OC
Show InChI InChI=1S/C28H32N4O4/c1-31-16-5-17-32(19-18-31)22-12-8-20(9-13-22)27(33)29-24-6-4-7-25(36-3)26(24)30-28(34)21-10-14-23(35-2)15-11-21/h4,6-15H,5,16-19H2,1-3H3,(H,29,33)(H,30,34)
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n/an/a 213n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197330
PNG
(4-({[(1S)-(aminocarbonyl)-3-methylbutyl]amino}-car...)
Show SMILES CCNc1ccc(c(c1)C(=O)Nc1cccc(c1)C(N)=O)-c1ccc(cc1C(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C30H33N5O6/c1-4-33-19-9-11-21(23(15-19)29(39)34-20-7-5-6-17(13-20)26(31)36)22-10-8-18(14-24(22)30(40)41)28(38)35-25(27(32)37)12-16(2)3/h5-11,13-16,25,33H,4,12H2,1-3H3,(H2,31,36)(H2,32,37)(H,34,39)(H,35,38)(H,40,41)/t25-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197331
PNG
(2'-({[3-(aminocarbonyl)phenyl]amino}carbonyl)-4-({...)
Show SMILES CNc1ccc(c(c1)C(=O)Nc1cccc(c1)C(N)=O)-c1ccc(cc1C(O)=O)C(=O)N[C@H](CO)CC(C)C
Show InChI InChI=1S/C29H32N4O6/c1-16(2)11-21(15-34)33-27(36)18-7-9-23(25(13-18)29(38)39)22-10-8-19(31-3)14-24(22)28(37)32-20-6-4-5-17(12-20)26(30)35/h4-10,12-14,16,21,31,34H,11,15H2,1-3H3,(H2,30,35)(H,32,37)(H,33,36)(H,38,39)/t21-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358271
PNG
(CHEMBL1922338)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1NC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H27FN4O3/c1-30-14-3-15-31(17-16-30)21-12-8-19(9-13-21)26(34)29-24-22(4-2-5-23(24)32)28-25(33)18-6-10-20(27)11-7-18/h2,4-13,32H,3,14-17H2,1H3,(H,28,33)(H,29,34)
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n/an/a 349n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358258
PNG
(CHEMBL1922227)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O3/c1-30-16-5-17-31(19-18-30)22-12-10-21(11-13-22)28-27(33)24-6-3-4-7-25(24)29-26(32)20-8-14-23(34-2)15-9-20/h3-4,6-15H,5,16-19H2,1-2H3,(H,28,33)(H,29,32)
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n/an/a 539n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197324
PNG
(4-({[(1S)-(aminocarbonyl)-3-methylbutyl]amino}-car...)
Show SMILES CNc1ccc(c(c1)C(=O)Nc1ccc(CN)cc1)-c1ccc(cc1C(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C29H33N5O5/c1-16(2)12-25(26(31)35)34-27(36)18-6-10-22(24(13-18)29(38)39)21-11-9-20(32-3)14-23(21)28(37)33-19-7-4-17(15-30)5-8-19/h4-11,13-14,16,25,32H,12,15,30H2,1-3H3,(H2,31,35)(H,33,37)(H,34,36)(H,38,39)/t25-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197326
PNG
(2'-(3-carbamoyl-phenylcarbamoyl)-4-isobutylcarbamo...)
Show SMILES CNc1ccc(c(c1)C(=O)Nc1cccc(c1)C(N)=O)-c1ccc(cc1C(O)=O)C(=O)NCC(C)C
Show InChI InChI=1S/C27H28N4O5/c1-15(2)14-30-25(33)17-7-9-21(23(12-17)27(35)36)20-10-8-18(29-3)13-22(20)26(34)31-19-6-4-5-16(11-19)24(28)32/h4-13,15,29H,14H2,1-3H3,(H2,28,32)(H,30,33)(H,31,34)(H,35,36)
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n/an/a 690n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197329
PNG
(4-({[(1S)-(aminocarbonyl)-3-methylbutyl]amino}-car...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccc(NC(C)C)cc1C(=O)Nc1cccc(c1)C(N)=O)C(N)=O
Show InChI InChI=1S/C31H35N5O6/c1-16(2)12-26(28(33)38)36-29(39)19-8-10-23(25(14-19)31(41)42)22-11-9-21(34-17(3)4)15-24(22)30(40)35-20-7-5-6-18(13-20)27(32)37/h5-11,13-17,26,34H,12H2,1-4H3,(H2,32,37)(H2,33,38)(H,35,40)(H,36,39)(H,41,42)/t26-/m0/s1
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n/an/a 860n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM31459
PNG
(CHEMBL224485 | substituted biphenyl derivative, 21)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H26N4O4/c1-15(2)14-29-24(31)17-9-12-20(22(13-17)26(33)34)19-5-3-4-6-21(19)25(32)30-18-10-7-16(8-11-18)23(27)28/h3-13,15H,14H2,1-2H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)
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n/an/a 880n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human Fxa by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197340
PNG
(2'-({[4-(aminomethyl)phenyl]amino}carbonyl)-4-({[(...)
Show SMILES CNc1ccc(c(c1)C(=O)Nc1ccc(CN)cc1)-c1ccc(cc1C(O)=O)C(=O)N[C@H](CO)CC(C)C
Show InChI InChI=1S/C29H34N4O5/c1-17(2)12-22(16-34)33-27(35)19-6-10-24(26(13-19)29(37)38)23-11-9-21(31-3)14-25(23)28(36)32-20-7-4-18(15-30)5-8-20/h4-11,13-14,17,22,31,34H,12,15-16,30H2,1-3H3,(H,32,36)(H,33,35)(H,37,38)/t22-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358270
PNG
(CHEMBL1922241)
Show SMILES CSc1ccc(cc1)C(=O)Nc1cccc(O)c1NC(=O)c1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C27H30N4O3S/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)
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n/an/a 1.44E+3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197336
PNG
(4-({[(1S)-(aminocarbonyl)-3-methylbutyl]amino}-car...)
Show SMILES CCCCNc1ccc(c(c1)C(=O)Nc1cccc(c1)C(N)=O)-c1ccc(cc1C(O)=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C32H37N5O6/c1-4-5-13-35-21-10-12-23(25(17-21)31(41)36-22-8-6-7-19(15-22)28(33)38)24-11-9-20(16-26(24)32(42)43)30(40)37-27(29(34)39)14-18(2)3/h6-12,15-18,27,35H,4-5,13-14H2,1-3H3,(H2,33,38)(H2,34,39)(H,36,41)(H,37,40)(H,42,43)/t27-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197341
PNG
(2'-({[3-(aminocarbonyl)phenyl]amino}carbonyl)-4-{[...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1cccc(c1)C(N)=O)C(O)=O
Show InChI InChI=1S/C28H27N3O7/c1-15(2)12-23(28(37)38)31-25(33)17-10-11-20(22(14-17)27(35)36)19-8-3-4-9-21(19)26(34)30-18-7-5-6-16(13-18)24(29)32/h3-11,13-15,23H,12H2,1-2H3,(H2,29,32)(H,30,34)(H,31,33)(H,35,36)(H,37,38)/t23-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197333
PNG
(2'-({[3-(aminocarbonyl)phenyl]amino}carbonyl)-4-[(...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1cccc(c1)C(N)=O)C(=O)N(C)C
Show InChI InChI=1S/C30H32N4O6/c1-17(2)14-25(29(38)34(3)4)33-27(36)19-12-13-22(24(16-19)30(39)40)21-10-5-6-11-23(21)28(37)32-20-9-7-8-18(15-20)26(31)35/h5-13,15-17,25H,14H2,1-4H3,(H2,31,35)(H,32,37)(H,33,36)(H,39,40)/t25-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197332
PNG
(4-({[(1S)-(aminocarbonyl)-3-methylbutyl]amino}carb...)
Show SMILES CC(C)C[C@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1cccc(c1)C(N)=O)C(N)=O
Show InChI InChI=1S/C28H28N4O6/c1-15(2)12-23(25(30)34)32-26(35)17-10-11-20(22(14-17)28(37)38)19-8-3-4-9-21(19)27(36)31-18-7-5-6-16(13-18)24(29)33/h3-11,13-15,23H,12H2,1-2H3,(H2,29,33)(H2,30,34)(H,31,36)(H,32,35)(H,37,38)/t23-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197334
PNG
(2'-({[3-(aminocarbonyl)phenyl]amino}carbonyl)-4-[(...)
Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C29H30N4O6/c1-16(2)13-24(28(37)31-3)33-26(35)18-11-12-21(23(15-18)29(38)39)20-9-4-5-10-22(20)27(36)32-19-8-6-7-17(14-19)25(30)34/h4-12,14-16,24H,13H2,1-3H3,(H2,30,34)(H,31,37)(H,32,36)(H,33,35)(H,38,39)/t24-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358256
PNG
(CHEMBL168946)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1NC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H20N2O4/c1-27-17-11-7-15(8-12-17)21(25)23-19-5-3-4-6-20(19)24-22(26)16-9-13-18(28-2)14-10-16/h3-14H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 4.22E+3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358269
PNG
(CHEMBL1922242)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)C(=O)Nc1c(O)cccc1NC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C26H28N4O4/c1-29-14-3-15-30(17-16-29)20-10-6-18(7-11-20)26(34)28-24-22(4-2-5-23(24)32)27-25(33)19-8-12-21(31)13-9-19/h2,4-13,31-32H,3,14-17H2,1H3,(H,27,33)(H,28,34)
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n/an/a 6.14E+3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50358255
PNG
(CHEMBL172511)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(OC)cc1NC(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C23H22N2O5/c1-28-17-8-4-15(5-9-17)22(26)24-20-13-12-19(30-3)14-21(20)25-23(27)16-6-10-18(29-2)11-7-16/h4-14H,1-3H3,(H,24,26)(H,25,27)
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n/an/a 6.22E+3n/an/an/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Inhibition of human factor 10A using chromogenic substrate S2222 by fluorometric analysis


J Med Chem 54: 8051-65 (2011)


Article DOI: 10.1021/jm200868m
BindingDB Entry DOI: 10.7270/Q2D50ND9
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197338
PNG
(2'-({[3-(aminocarbonyl)phenyl]amino}carbonyl)-4-{[...)
Show SMILES CC(C)C[C@@H](CO)NC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C28H29N3O6/c1-16(2)12-20(15-32)31-26(34)18-10-11-22(24(14-18)28(36)37)21-8-3-4-9-23(21)27(35)30-19-7-5-6-17(13-19)25(29)33/h3-11,13-14,16,20,32H,12,15H2,1-2H3,(H2,29,33)(H,30,35)(H,31,34)(H,36,37)/t20-/m0/s1
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n/an/a 8.50E+3n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197335
PNG
(2'-(3-Carbamoyl-phenylcarbamoyl)-4-isobutylcarbamo...)
Show SMILES CC(C)CNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C26H25N3O5/c1-15(2)14-28-24(31)17-10-11-20(22(13-17)26(33)34)19-8-3-4-9-21(19)25(32)29-18-7-5-6-16(12-18)23(27)30/h3-13,15H,14H2,1-2H3,(H2,27,30)(H,28,31)(H,29,32)(H,33,34)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
Coagulation factor VII/Tissue factor


(Homo sapiens (Human))
BDBM50197339
PNG
(2'-({[3-(aminocarbonyl)phenyl]amino}carbonyl)-4-{[...)
Show SMILES CC(C)CCNC(=O)c1ccc(c(c1)C(O)=O)-c1ccccc1C(=O)Nc1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H27N3O5/c1-16(2)12-13-29-25(32)18-10-11-21(23(15-18)27(34)35)20-8-3-4-9-22(20)26(33)30-19-7-5-6-17(14-19)24(28)31/h3-11,14-16H,12-13H2,1-2H3,(H2,28,31)(H,29,32)(H,30,33)(H,34,35)
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n/an/a 1.90E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TF/FVIIa complex by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair
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