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PubMed code 10698439

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085402
PNG
(4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylca...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccnc(c2)C(N)=O)c1
Show InChI InChI=1S/C23H21N5O3/c24-21(25)18-7-8-20(29)17(12-18)2-1-10-28-23(31)15-5-3-14(4-6-15)16-9-11-27-19(13-16)22(26)30/h1-9,11-13,29H,10H2,(H3,24,25)(H2,26,30)(H,28,31)/b2-1+
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0.75n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085405
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [3-(5-carb...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)18-11-12-20(28)17(14-18)4-3-13-27-23(29)16-9-7-15(8-10-16)19-5-1-2-6-21(19)32(26,30)31/h1-12,14,28H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b4-3+
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2n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085390
PNG
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[(E)-3...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C24H22N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1-11,13-14,29H,12H2,(H3,25,26)(H2,27,30)(H,28,31)/b5-2+
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5n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085406
PNG
((2R,3R)-3-[(Biphenyl-4-carbonyl)-amino]-2-(3-carba...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H27N3O3/c1-17(23(26(31)32-2)16-18-7-6-10-22(15-18)24(27)28)29-25(30)21-13-11-20(12-14-21)19-8-4-3-5-9-19/h3-15,17,23H,16H2,1-2H3,(H3,27,28)(H,29,30)/t17-,23-/m1/s1
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5n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085392
PNG
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C24H24N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1,3-4,6-11,13-14,29H,2,5,12H2,(H3,25,26)(H2,27,30)(H,28,31)
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7n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085388
PNG
(3'-Sulfamoyl-biphenyl-4-carboxylic acid [3-(5-carb...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2cccc(c2)S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)19-10-11-21(28)18(13-19)4-2-12-27-23(29)16-8-6-15(7-9-16)17-3-1-5-20(14-17)32(26,30)31/h1-11,13-14,28H,12H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b4-2+
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9n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085400
PNG
(4'-Sulfamoyl-biphenyl-4-carboxylic acid [(E)-3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)19-9-12-21(28)18(14-19)2-1-13-27-23(29)17-5-3-15(4-6-17)16-7-10-20(11-8-16)32(26,30)31/h1-12,14,28H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b2-1+
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12n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085401
PNG
(CHEMBL421676 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy...)
Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1 |w:9.8|
Show InChI InChI=1S/C20H19N5O2/c21-19(22)16-7-8-18(26)15(10-16)2-1-9-24-20(27)14-5-3-13(4-6-14)17-11-23-12-25-17/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,25)(H,24,27)
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19n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085396
PNG
(Biphenyl-4,4'-dicarboxylic acid 4-amide 4'-{[3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C24H22N4O3/c25-22(26)20-11-12-21(29)19(14-20)2-1-13-28-24(31)18-9-5-16(6-10-18)15-3-7-17(8-4-15)23(27)30/h1-12,14,29H,13H2,(H3,25,26)(H2,27,30)(H,28,31)/b2-1+
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20n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085394
PNG
(5-Pyridin-2-yl-thiophene-2-carboxylic acid [(E)-3-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(s2)-c2ccccn2)c1
Show InChI InChI=1S/C20H18N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-10,12,25H,11H2,(H3,21,22)(H,24,26)/b4-3+
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37n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085391
PNG
(CHEMBL302064 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccnc2)c1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)18-9-10-20(27)17(13-18)3-2-12-26-22(28)16-7-5-15(6-8-16)19-4-1-11-25-14-19/h1,4-11,13-14,27H,2-3,12H2,(H3,23,24)(H,26,28)
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38n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085387
PNG
(Biphenyl-4-carboxylic acid [(E)-3-(5-carbamimidoyl...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C23H21N3O2/c24-22(25)20-12-13-21(27)19(15-20)7-4-14-26-23(28)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-13,15,27H,14H2,(H3,24,25)(H,26,28)/b7-4+
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51n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085398
PNG
(CHEMBL72820 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1
Show InChI InChI=1S/C20H21N5O2/c21-18(22)16-7-8-17(26)15(12-16)2-1-9-25-20(27)14-5-3-13(4-6-14)19-23-10-11-24-19/h3-8,10-12,26H,1-2,9H2,(H3,21,22)(H,23,24)(H,25,27)
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58n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085395
PNG
(4-tert-Butyl-N-[3-(5-carbamimidoyl-2-hydroxy-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCCCc1cc(ccc1O)C(N)=N
Show InChI InChI=1S/C21H27N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h6-11,13,25H,4-5,12H2,1-3H3,(H3,22,23)(H,24,26)
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59n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085399
PNG
(4-tert-Butyl-N-[(E)-3-(5-carbamimidoyl-2-hydroxy-p...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC\C=C\c1cc(ccc1O)C(N)=N
Show InChI InChI=1S/C21H25N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h4-11,13,25H,12H2,1-3H3,(H3,22,23)(H,24,26)/b5-4+
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61n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085384
PNG
(Biphenyl-4-carboxylic acid [3-(5-carbamimidoyl-2-h...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C23H23N3O2/c24-22(25)20-12-13-21(27)19(15-20)7-4-14-26-23(28)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,27H,4,7,14H2,(H3,24,25)(H,26,28)
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88n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085386
PNG
(CHEMBL68737 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1
Show InChI InChI=1S/C20H19N5O2/c21-18(22)16-7-8-17(26)15(12-16)2-1-9-25-20(27)14-5-3-13(4-6-14)19-23-10-11-24-19/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,24)(H,25,27)/b2-1+
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128n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085404
PNG
(5-Pyridin-2-yl-thiophene-2-carboxylic acid [3-(5-c...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(s2)-c2ccccn2)c1
Show InChI InChI=1S/C20H20N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-2,5-10,12,25H,3-4,11H2,(H3,21,22)(H,24,26)
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131n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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140n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Plasmin


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085403
PNG
(6-Chloro-benzo[b]thiophene-2-carboxylic acid [3-(5...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2cc3ccc(Cl)cc3s2)c1
Show InChI InChI=1S/C19H18ClN3O2S/c20-14-5-3-12-9-17(26-16(12)10-14)19(25)23-7-1-2-11-8-13(18(21)22)4-6-15(11)24/h3-6,8-10,24H,1-2,7H2,(H3,21,22)(H,23,25)
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181n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085389
PNG
(3-Oxo-2,3-dihydro-thieno[3,2-c]pyridazine-6-carbox...)
Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2cc3n[nH]c(=O)cc3s2)c1 |w:9.8|
Show InChI InChI=1S/C17H15N5O3S/c18-16(19)10-3-4-12(23)9(6-10)2-1-5-20-17(25)14-7-11-13(26-14)8-15(24)22-21-11/h1-4,6-8,23H,5H2,(H3,18,19)(H,20,25)(H,22,24)
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184n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085388
PNG
(3'-Sulfamoyl-biphenyl-4-carboxylic acid [3-(5-carb...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2cccc(c2)S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)19-10-11-21(28)18(13-19)4-2-12-27-23(29)16-8-6-15(7-9-16)17-3-1-5-20(14-17)32(26,30)31/h1-11,13-14,28H,12H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b4-2+
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240n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085397
PNG
(CHEMBL303211 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1
Show InChI InChI=1S/C20H21N5O2/c21-19(22)16-7-8-18(26)15(10-16)2-1-9-24-20(27)14-5-3-13(4-6-14)17-11-23-12-25-17/h3-8,10-12,26H,1-2,9H2,(H3,21,22)(H,23,25)(H,24,27)
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254n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50085385
PNG
(Biphenyl-4-carboxylic acid [3-(3-carbamimidoyl-phe...)
Show SMILES NC(=N)c1cccc(CCCNC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C23H23N3O/c24-22(25)21-10-4-6-17(16-21)7-5-15-26-23(27)20-13-11-19(12-14-20)18-8-2-1-3-9-18/h1-4,6,8-14,16H,5,7,15H2,(H3,24,25)(H,26,27)
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1.00E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor Xa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085386
PNG
(CHEMBL68737 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1
Show InChI InChI=1S/C20H19N5O2/c21-18(22)16-7-8-17(26)15(12-16)2-1-9-25-20(27)14-5-3-13(4-6-14)19-23-10-11-24-19/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,24)(H,25,27)/b2-1+
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1.40E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085396
PNG
(Biphenyl-4,4'-dicarboxylic acid 4-amide 4'-{[3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C24H22N4O3/c25-22(26)20-11-12-21(29)19(14-20)2-1-13-28-24(31)18-9-5-16(6-10-18)15-3-7-17(8-4-15)23(27)30/h1-12,14,29H,13H2,(H3,25,26)(H2,27,30)(H,28,31)/b2-1+
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1.40E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085389
PNG
(3-Oxo-2,3-dihydro-thieno[3,2-c]pyridazine-6-carbox...)
Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2cc3n[nH]c(=O)cc3s2)c1 |w:9.8|
Show InChI InChI=1S/C17H15N5O3S/c18-16(19)10-3-4-12(23)9(6-10)2-1-5-20-17(25)14-7-11-13(26-14)8-15(24)22-21-11/h1-4,6-8,23H,5H2,(H3,18,19)(H,20,25)(H,22,24)
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1.40E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085394
PNG
(5-Pyridin-2-yl-thiophene-2-carboxylic acid [(E)-3-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(s2)-c2ccccn2)c1
Show InChI InChI=1S/C20H18N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-10,12,25H,11H2,(H3,21,22)(H,24,26)/b4-3+
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1.40E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085405
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [3-(5-carb...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)18-11-12-20(28)17(14-18)4-3-13-27-23(29)16-9-7-15(8-10-16)19-5-1-2-6-21(19)32(26,30)31/h1-12,14,28H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b4-3+
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1.50E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085400
PNG
(4'-Sulfamoyl-biphenyl-4-carboxylic acid [(E)-3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)19-9-12-21(28)18(14-19)2-1-13-27-23(29)17-5-3-15(4-6-17)16-7-10-20(11-8-16)32(26,30)31/h1-12,14,28H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b2-1+
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1.60E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085401
PNG
(CHEMBL421676 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy...)
Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1 |w:9.8|
Show InChI InChI=1S/C20H19N5O2/c21-19(22)16-7-8-18(26)15(10-16)2-1-9-24-20(27)14-5-3-13(4-6-14)17-11-23-12-25-17/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,25)(H,24,27)
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1.80E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085391
PNG
(CHEMBL302064 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccnc2)c1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)18-9-10-20(27)17(13-18)3-2-12-26-22(28)16-7-5-15(6-8-16)19-4-1-11-25-14-19/h1,4-11,13-14,27H,2-3,12H2,(H3,23,24)(H,26,28)
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1.90E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085402
PNG
(4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylca...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccnc(c2)C(N)=O)c1
Show InChI InChI=1S/C23H21N5O3/c24-21(25)18-7-8-20(29)17(12-18)2-1-10-28-23(31)15-5-3-14(4-6-15)16-9-11-27-19(13-16)22(26)30/h1-9,11-13,29H,10H2,(H3,24,25)(H2,26,30)(H,28,31)/b2-1+
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2.20E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085395
PNG
(4-tert-Butyl-N-[3-(5-carbamimidoyl-2-hydroxy-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCCCc1cc(ccc1O)C(N)=N
Show InChI InChI=1S/C21H27N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h6-11,13,25H,4-5,12H2,1-3H3,(H3,22,23)(H,24,26)
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2.20E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085399
PNG
(4-tert-Butyl-N-[(E)-3-(5-carbamimidoyl-2-hydroxy-p...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC\C=C\c1cc(ccc1O)C(N)=N
Show InChI InChI=1S/C21H25N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h4-11,13,25H,12H2,1-3H3,(H3,22,23)(H,24,26)/b5-4+
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2.30E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085396
PNG
(Biphenyl-4,4'-dicarboxylic acid 4-amide 4'-{[3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C24H22N4O3/c25-22(26)20-11-12-21(29)19(14-20)2-1-13-28-24(31)18-9-5-16(6-10-18)15-3-7-17(8-4-15)23(27)30/h1-12,14,29H,13H2,(H3,25,26)(H2,27,30)(H,28,31)/b2-1+
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2.90E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085387
PNG
(Biphenyl-4-carboxylic acid [(E)-3-(5-carbamimidoyl...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C23H21N3O2/c24-22(25)20-12-13-21(27)19(15-20)7-4-14-26-23(28)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-13,15,27H,14H2,(H3,24,25)(H,26,28)/b7-4+
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>2.90E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085390
PNG
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[(E)-3...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C24H22N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1-11,13-14,29H,12H2,(H3,25,26)(H2,27,30)(H,28,31)/b5-2+
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>2.90E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085392
PNG
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C24H24N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1,3-4,6-11,13-14,29H,2,5,12H2,(H3,25,26)(H2,27,30)(H,28,31)
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085403
PNG
(6-Chloro-benzo[b]thiophene-2-carboxylic acid [3-(5...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2cc3ccc(Cl)cc3s2)c1
Show InChI InChI=1S/C19H18ClN3O2S/c20-14-5-3-12-9-17(26-16(12)10-14)19(25)23-7-1-2-11-8-13(18(21)22)4-6-15(11)24/h3-6,8-10,24H,1-2,7H2,(H3,21,22)(H,23,25)
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>2.90E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085404
PNG
(5-Pyridin-2-yl-thiophene-2-carboxylic acid [3-(5-c...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(s2)-c2ccccn2)c1
Show InChI InChI=1S/C20H20N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-2,5-10,12,25H,3-4,11H2,(H3,21,22)(H,24,26)
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>2.90E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50085384
PNG
(Biphenyl-4-carboxylic acid [3-(5-carbamimidoyl-2-h...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C23H23N3O2/c24-22(25)20-12-13-21(27)19(15-20)7-4-14-26-23(28)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,27H,4,7,14H2,(H3,24,25)(H,26,28)
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085399
PNG
(4-tert-Butyl-N-[(E)-3-(5-carbamimidoyl-2-hydroxy-p...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NC\C=C\c1cc(ccc1O)C(N)=N
Show InChI InChI=1S/C21H25N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h4-11,13,25H,12H2,1-3H3,(H3,22,23)(H,24,26)/b5-4+
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3.20E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50085392
PNG
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C24H24N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1,3-4,6-11,13-14,29H,2,5,12H2,(H3,25,26)(H2,27,30)(H,28,31)
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3.50E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Plasmin


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085386
PNG
(CHEMBL68737 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1
Show InChI InChI=1S/C20H19N5O2/c21-18(22)16-7-8-17(26)15(12-16)2-1-9-25-20(27)14-5-3-13(4-6-14)19-23-10-11-24-19/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,24)(H,25,27)/b2-1+
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085388
PNG
(3'-Sulfamoyl-biphenyl-4-carboxylic acid [3-(5-carb...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2cccc(c2)S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)19-10-11-21(28)18(13-19)4-2-12-27-23(29)16-8-6-15(7-9-16)17-3-1-5-20(14-17)32(26,30)31/h1-11,13-14,28H,12H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b4-2+
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085389
PNG
(3-Oxo-2,3-dihydro-thieno[3,2-c]pyridazine-6-carbox...)
Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2cc3n[nH]c(=O)cc3s2)c1 |w:9.8|
Show InChI InChI=1S/C17H15N5O3S/c18-16(19)10-3-4-12(23)9(6-10)2-1-5-20-17(25)14-7-11-13(26-14)8-15(24)22-21-11/h1-4,6-8,23H,5H2,(H3,18,19)(H,20,25)(H,22,24)
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085400
PNG
(4'-Sulfamoyl-biphenyl-4-carboxylic acid [(E)-3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)19-9-12-21(28)18(14-19)2-1-13-27-23(29)17-5-3-15(4-6-17)16-7-10-20(11-8-16)32(26,30)31/h1-12,14,28H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b2-1+
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085390
PNG
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[(E)-3...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C24H22N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1-11,13-14,29H,12H2,(H3,25,26)(H2,27,30)(H,28,31)/b5-2+
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085394
PNG
(5-Pyridin-2-yl-thiophene-2-carboxylic acid [(E)-3-...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(s2)-c2ccccn2)c1
Show InChI InChI=1S/C20H18N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-10,12,25H,11H2,(H3,21,22)(H,24,26)/b4-3+
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085404
PNG
(5-Pyridin-2-yl-thiophene-2-carboxylic acid [3-(5-c...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(s2)-c2ccccn2)c1
Show InChI InChI=1S/C20H20N4O2S/c21-19(22)14-6-7-16(25)13(12-14)4-3-11-24-20(26)18-9-8-17(27-18)15-5-1-2-10-23-15/h1-2,5-10,12,25H,3-4,11H2,(H3,21,22)(H,24,26)
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085395
PNG
(4-tert-Butyl-N-[3-(5-carbamimidoyl-2-hydroxy-pheny...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCCCc1cc(ccc1O)C(N)=N
Show InChI InChI=1S/C21H27N3O2/c1-21(2,3)17-9-6-14(7-10-17)20(26)24-12-4-5-15-13-16(19(22)23)8-11-18(15)25/h6-11,13,25H,4-5,12H2,1-3H3,(H3,22,23)(H,24,26)
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085397
PNG
(CHEMBL303211 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1
Show InChI InChI=1S/C20H21N5O2/c21-19(22)16-7-8-18(26)15(10-16)2-1-9-24-20(27)14-5-3-13(4-6-14)17-11-23-12-25-17/h3-8,10-12,26H,1-2,9H2,(H3,21,22)(H,23,25)(H,24,27)
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085405
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [3-(5-carb...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C23H22N4O4S/c24-22(25)18-11-12-20(28)17(14-18)4-3-13-27-23(29)16-9-7-15(8-10-16)19-5-1-2-6-21(19)32(26,30)31/h1-12,14,28H,13H2,(H3,24,25)(H,27,29)(H2,26,30,31)/b4-3+
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085384
PNG
(Biphenyl-4-carboxylic acid [3-(5-carbamimidoyl-2-h...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C23H23N3O2/c24-22(25)20-12-13-21(27)19(15-20)7-4-14-26-23(28)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,15,27H,4,7,14H2,(H3,24,25)(H,26,28)
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085398
PNG
(CHEMBL72820 | N-[3-(5-Carbamimidoyl-2-hydroxy-phen...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2ncc[nH]2)c1
Show InChI InChI=1S/C20H21N5O2/c21-18(22)16-7-8-17(26)15(12-16)2-1-9-25-20(27)14-5-3-13(4-6-14)19-23-10-11-24-19/h3-8,10-12,26H,1-2,9H2,(H3,21,22)(H,23,24)(H,25,27)
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085392
PNG
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C24H24N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1,3-4,6-11,13-14,29H,2,5,12H2,(H3,25,26)(H2,27,30)(H,28,31)
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085387
PNG
(Biphenyl-4-carboxylic acid [(E)-3-(5-carbamimidoyl...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C23H21N3O2/c24-22(25)20-12-13-21(27)19(15-20)7-4-14-26-23(28)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-13,15,27H,14H2,(H3,24,25)(H,26,28)/b7-4+
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Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085391
PNG
(CHEMBL302064 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccnc2)c1
Show InChI InChI=1S/C22H22N4O2/c23-21(24)18-9-10-20(27)17(13-18)3-2-12-26-22(28)16-7-5-15(6-8-16)19-4-1-11-25-14-19/h1,4-11,13-14,27H,2-3,12H2,(H3,23,24)(H,26,28)
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>4.00E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085401
PNG
(CHEMBL421676 | N-[(E)-3-(5-Carbamimidoyl-2-hydroxy...)
Show SMILES NC(=N)c1ccc(O)c(C=CCNC(=O)c2ccc(cc2)-c2c[nH]cn2)c1 |w:9.8|
Show InChI InChI=1S/C20H19N5O2/c21-19(22)16-7-8-18(26)15(10-16)2-1-9-24-20(27)14-5-3-13(4-6-14)17-11-23-12-25-17/h1-8,10-12,26H,9H2,(H3,21,22)(H,23,25)(H,24,27)
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>4.00E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50085402
PNG
(4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylca...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccnc(c2)C(N)=O)c1
Show InChI InChI=1S/C23H21N5O3/c24-21(25)18-7-8-20(29)17(12-18)2-1-10-28-23(31)15-5-3-14(4-6-15)16-9-11-27-19(13-16)22(26)30/h1-9,11-13,29H,10H2,(H3,24,25)(H2,26,30)(H,28,31)/b2-1+
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>4.00E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro inhibition of coagulation factor IIa.


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50085402
PNG
(4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylca...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccnc(c2)C(N)=O)c1
Show InChI InChI=1S/C23H21N5O3/c24-21(25)18-7-8-20(29)17(12-18)2-1-10-28-23(31)15-5-3-14(4-6-15)16-9-11-27-19(13-16)22(26)30/h1-9,11-13,29H,10H2,(H3,24,25)(H2,26,30)(H,28,31)/b2-1+
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>7.30E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Plasmin


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50085402
PNG
(4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylca...)
Show SMILES NC(=N)c1ccc(O)c(\C=C\CNC(=O)c2ccc(cc2)-c2ccnc(c2)C(N)=O)c1
Show InChI InChI=1S/C23H21N5O3/c24-21(25)18-7-8-20(29)17(12-18)2-1-10-28-23(31)15-5-3-14(4-6-15)16-9-11-27-19(13-16)22(26)30/h1-9,11-13,29H,10H2,(H3,24,25)(H2,26,30)(H,28,31)/b2-1+
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7.70E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50085392
PNG
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C24H24N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1,3-4,6-11,13-14,29H,2,5,12H2,(H3,25,26)(H2,27,30)(H,28,31)
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>8.70E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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>8.70E+3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against tissue plasminogen activator


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50085392
PNG
(Biphenyl-3,4'-dicarboxylic acid 3-amide 4'-{[3-(5-...)
Show SMILES NC(=N)c1ccc(O)c(CCCNC(=O)c2ccc(cc2)-c2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C24H24N4O3/c25-22(26)19-10-11-21(29)18(14-19)5-2-12-28-24(31)16-8-6-15(7-9-16)17-3-1-4-20(13-17)23(27)30/h1,3-4,6-11,13-14,29H,2,5,12H2,(H3,25,26)(H2,27,30)(H,28,31)
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1.50E+4n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Activated protein C


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50085393
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)14-17-5-3-7-21(13-17)24(28)29)31-26(33)19-11-9-18(10-12-19)20-6-4-8-22(15-20)25(30)32/h3-13,15-16,23H,14H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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>1.85E+4n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Activated protein C


Bioorg Med Chem Lett 10: 217-21 (2000)


BindingDB Entry DOI: 10.7270/Q2M32TZG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%