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Compile Data Set for Download or QSAR

Found 32 hits from Astellas Pharma Inc   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X/antithrombin III


(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
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/antithrombin III


(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 (KLKB1)


(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 (KLKB1)


(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
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))
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
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
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
Coagulation factor X/antithrombin III


(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
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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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 X/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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 X/antithrombin III


(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/antithrombin III


(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 X/antithrombin III


(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 X/antithrombin III


(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/antithrombin III


(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 X/antithrombin III


(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 X/antithrombin III


(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/antithrombin III


(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/antithrombin III


(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