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Compile Data Set for Download or QSAR

Found 288 hits with Last Name = 'trapp' and Initial = 's'   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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8n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50398399
PNG
(CHEMBL2178608)
Show SMILES COC1(COC1)c1sc2c(nc(nc2c1C)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H22N6O3S/c1-11-13-14(29-15(11)19(26-2)9-28-10-19)17(25-3-5-27-6-4-25)24-16(23-13)12-7-21-18(20)22-8-12/h7-8H,3-6,9-10H2,1-2H3,(H2,20,21,22)
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9n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay


J Med Chem 55: 8007-20 (2012)


Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50398400
PNG
(CHEMBL2178606)
Show SMILES COC(C)(C)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C18H22N6O2S/c1-18(2,25-3)13-8-12-14(27-13)16(24-4-6-26-7-5-24)23-15(22-12)11-9-20-17(19)21-10-11/h8-10H,4-7H2,1-3H3,(H2,19,20,21)
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10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay


J Med Chem 55: 8007-20 (2012)


Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50398398
PNG
(CHEMBL2178613)
Show SMILES CC1(C)OCCc2c1sc1c(nc(nc21)-c1cnc(N)nc1)N1CCOCC1
Show InChI InChI=1S/C19H22N6O2S/c1-19(2)15-12(3-6-27-19)13-14(28-15)17(25-4-7-26-8-5-25)24-16(23-13)11-9-21-18(20)22-10-11/h9-10H,3-8H2,1-2H3,(H2,20,21,22)
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13n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay


J Med Chem 55: 8007-20 (2012)


Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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14n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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19n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease tissue type Plasminogen Activator (t-PA).


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50398397
PNG
(CHEMBL2178614)
Show SMILES CC1(C)COC1c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C19H22N6O2S/c1-19(2)10-27-15(19)13-7-12-14(28-13)17(25-3-5-26-6-4-25)24-16(23-12)11-8-21-18(20)22-9-11/h7-9,15H,3-6,10H2,1-2H3,(H2,20,21,22)
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21n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay


J Med Chem 55: 8007-20 (2012)


Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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25n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay


J Med Chem 55: 8007-20 (2012)


Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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35n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inihibtion of Human Serine Protease tissue type Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102767
PNG
(2-(3-Bromo-2-hydroxy-phenyl)-1H-indole-5-carboxami...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Br)c1O
Show InChI InChI=1S/C15H12BrN3O/c16-11-3-1-2-10(14(11)20)13-7-9-6-8(15(17)18)4-5-12(9)19-13/h1-7,19-20H,(H3,17,18)
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35n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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38n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102767
PNG
(2-(3-Bromo-2-hydroxy-phenyl)-1H-indole-5-carboxami...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Br)c1O
Show InChI InChI=1S/C15H12BrN3O/c16-11-3-1-2-10(14(11)20)13-7-9-6-8(15(17)18)4-5-12(9)19-13/h1-7,19-20H,(H3,17,18)
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43n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102786
PNG
(2-(5-Bromo-2-hydroxy-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16BrN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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43n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101873
PNG
(2-(3-Bromo-2-hydroxy-5-methyl-phenyl)-1H-indole-5-...)
Show SMILES Cc1cc(Br)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)
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52n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102778
PNG
(2-(5-Chloro-2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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55n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50101873
PNG
(2-(3-Bromo-2-hydroxy-5-methyl-phenyl)-1H-indole-5-...)
Show SMILES Cc1cc(Br)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)
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55n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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75n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Trypsin.


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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78n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102792
PNG
(2-(2-Hydroxy-3-bromo-5-nitro-phenyl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(Br)c1O)[N+]([O-])=O
Show InChI InChI=1S/C15H11BrN4O3/c16-11-6-9(20(22)23)5-10(14(11)21)13-4-8-3-7(15(17)18)1-2-12(8)19-13/h1-6,19,21H,(H3,17,18)
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78n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102784
PNG
(2-(3,5-Dibromo-2-hydroxy-phenyl)-1H-indole-5-carbo...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C15H11Br2N3O/c16-9-5-10(14(21)11(17)6-9)13-4-8-3-7(15(18)19)1-2-12(8)20-13/h1-6,20-21H,(H3,18,19)
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89n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102786
PNG
(2-(5-Bromo-2-hydroxy-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16BrN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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94n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inihibtion of Human Serine Protease tissue type Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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100n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102784
PNG
(2-(3,5-Dibromo-2-hydroxy-phenyl)-1H-indole-5-carbo...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C15H11Br2N3O/c16-9-5-10(14(21)11(17)6-9)13-4-8-3-7(15(18)19)1-2-12(8)20-13/h1-6,20-21H,(H3,18,19)
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100n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Human Serine Protease Urokinase Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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110n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Thrombin.


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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110n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inihibtion of Human Serine Protease tissue type Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102767
PNG
(2-(3-Bromo-2-hydroxy-phenyl)-1H-indole-5-carboxami...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Br)c1O
Show InChI InChI=1S/C15H12BrN3O/c16-11-3-1-2-10(14(11)20)13-7-9-6-8(15(17)18)4-5-12(9)19-13/h1-7,19-20H,(H3,17,18)
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120n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Thrombin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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130n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Trypsin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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130n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Trypsin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50102778
PNG
(2-(5-Chloro-2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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130n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Trypsin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102778
PNG
(2-(5-Chloro-2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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160n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inihibtion of Human Serine Protease tissue type Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50101873
PNG
(2-(3-Bromo-2-hydroxy-5-methyl-phenyl)-1H-indole-5-...)
Show SMILES Cc1cc(Br)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)
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180n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Thrombin.


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50102790
PNG
(2-(2-Hydroxy-5-nitro-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(c1O)-c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N4O3/c22-21(23)13-6-7-18-14(8-13)9-19(24-18)17-11-15(25(27)28)10-16(20(17)26)12-4-2-1-3-5-12/h1-11,24,26H,(H3,22,23)
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190n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin.


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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210n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102786
PNG
(2-(5-Bromo-2-hydroxy-biphenyl-3-yl)-1H-indole-5-ca...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16BrN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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210n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102792
PNG
(2-(2-Hydroxy-3-bromo-5-nitro-phenyl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(Br)c1O)[N+]([O-])=O
Show InChI InChI=1S/C15H11BrN4O3/c16-11-6-9(20(22)23)5-10(14(11)21)13-4-8-3-7(15(17)18)1-2-12(8)19-13/h1-6,19,21H,(H3,17,18)
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240n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Thrombin.


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50101866
PNG
(2-(2-Hydroxy-5-methyl-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES Cc1cc(-c2cc3cc(ccc3[nH]2)C(N)=N)c(O)c(c1)-c1ccccc1
Show InChI InChI=1S/C22H19N3O/c1-13-9-17(14-5-3-2-4-6-14)21(26)18(10-13)20-12-16-11-15(22(23)24)7-8-19(16)25-20/h2-12,25-26H,1H3,(H3,23,24)
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250n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102785
PNG
(2-(3-Bromo-2-hydroxy-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Br)c1O
Show InChI InChI=1S/C14H11BrN4O/c15-9-3-1-2-8(12(9)20)14-18-10-5-4-7(13(16)17)6-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
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250n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50102767
PNG
(2-(3-Bromo-2-hydroxy-phenyl)-1H-indole-5-carboxami...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Br)c1O
Show InChI InChI=1S/C15H12BrN3O/c16-11-3-1-2-10(14(11)20)13-7-9-6-8(15(17)18)4-5-12(9)19-13/h1-7,19-20H,(H3,17,18)
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250n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102792
PNG
(2-(2-Hydroxy-3-bromo-5-nitro-phenyl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(cc(Br)c1O)[N+]([O-])=O
Show InChI InChI=1S/C15H11BrN4O3/c16-11-6-9(20(22)23)5-10(14(11)21)13-4-8-3-7(15(17)18)1-2-12(8)19-13/h1-6,19,21H,(H3,17,18)
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280n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50102791
PNG
(2-(5-Chloro-2-hydroxy-biphenyl-3-yl)-1H-benzoimida...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C20H15ClN4O/c21-13-9-14(11-4-2-1-3-5-11)18(26)15(10-13)20-24-16-7-6-12(19(22)23)8-17(16)25-20/h1-10,26H,(H3,22,23)(H,24,25)
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280n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inihibtion of Human Serine Protease tissue type Plasminogen Activator


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50102789
PNG
(2-(3-Bromo-2-hydroxy-5-methyl-phenyl)-1H-benzoimid...)
Show SMILES Cc1cc(Br)c(O)c(c1)-c1nc2ccc(cc2[nH]1)C(N)=N
Show InChI InChI=1S/C15H13BrN4O/c1-7-4-9(13(21)10(16)5-7)15-19-11-3-2-8(14(17)18)6-12(11)20-15/h2-6,21H,1H3,(H3,17,18)(H,19,20)
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280n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
ComInhibition of Human Serine Protease Urokinase Plasminogen Activator (u-PA).


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102778
PNG
(2-(5-Chloro-2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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290n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Thrombin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50102767
PNG
(2-(3-Bromo-2-hydroxy-phenyl)-1H-indole-5-carboxami...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(Br)c1O
Show InChI InChI=1S/C15H12BrN3O/c16-11-3-1-2-10(14(11)20)13-7-9-6-8(15(17)18)4-5-12(9)19-13/h1-7,19-20H,(H3,17,18)
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290n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Trypsin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50102778
PNG
(2-(5-Chloro-2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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290n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Plasmin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102785
PNG
(2-(3-Bromo-2-hydroxy-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=N)c1ccc2nc([nH]c2c1)-c1cccc(Br)c1O
Show InChI InChI=1S/C14H11BrN4O/c15-9-3-1-2-8(12(9)20)14-18-10-5-4-7(13(16)17)6-11(10)19-14/h1-6,20H,(H3,16,17)(H,18,19)
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300n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102780
PNG
(2-(2-Hydroxy-3-phenyl-phenyl)-1H-indole-5-carboxam...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,24-25H,(H3,22,23)
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320n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Thrombin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50102784
PNG
(2-(3,5-Dibromo-2-hydroxy-phenyl)-1H-indole-5-carbo...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C15H11Br2N3O/c16-9-5-10(14(21)11(17)6-9)13-4-8-3-7(15(18)19)1-2-12(8)20-13/h1-6,20-21H,(H3,18,19)
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320n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Activity against Human Serine Protease Thrombin


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50101873
PNG
(2-(3-Bromo-2-hydroxy-5-methyl-phenyl)-1H-indole-5-...)
Show SMILES Cc1cc(Br)c(O)c(c1)-c1cc2cc(ccc2[nH]1)C(N)=N
Show InChI InChI=1S/C16H14BrN3O/c1-8-4-11(15(21)12(17)5-8)14-7-10-6-9(16(18)19)2-3-13(10)20-14/h2-7,20-21H,1H3,(H3,18,19)
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320n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Human Serine Protease Trypsin.


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50102778
PNG
(2-(5-Chloro-2-hydroxy-biphenyl-3-yl)-1H-indole-5-c...)
Show SMILES NC(=N)c1ccc2[nH]c(cc2c1)-c1cc(Cl)cc(-c2ccccc2)c1O
Show InChI InChI=1S/C21H16ClN3O/c22-15-10-16(12-4-2-1-3-5-12)20(26)17(11-15)19-9-14-8-13(21(23)24)6-7-18(14)25-19/h1-11,25-26H,(H3,23,24)
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340n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against human coagulation factor X


J Med Chem 44: 2753-71 (2001)


BindingDB Entry DOI: 10.7270/Q2RX9BC7
More data for this
Ligand-Target Pair
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