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Compile Data Set for Download or QSAR

Found 465 hits with Last Name = 'becker' and Initial = 'r'   
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))
BDBM50080514
PNG
(3-[(R)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C23H24N4O4S/c1-31-19-7-5-16-6-8-20(13-18(16)12-19)32(29,30)26-21-9-10-27(23(21)28)14-15-3-2-4-17(11-15)22(24)25/h2-8,11-13,21,26H,9-10,14H2,1H3,(H3,24,25)/t21-/m1/s1
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PubMed
0.0470n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14059
PNG
(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1 |r|
Show InChI InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1
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PubMed
0.700 -51.7n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 43: 3226-32 (2000)


Article DOI: 10.1021/jm000940u
BindingDB Entry DOI: 10.7270/Q25H7DHP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14059
PNG
(4-hydroxy-3-[[(3S)-2-oxo-3-(9-thia-5-azabicyclo[4....)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1 |r|
Show InChI InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease factor Xa (fXa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12597
PNG
(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN)c1 |r|
Show InChI InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1
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PubMed
0.900 -51.1n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12597
PNG
(CHEMBL48046 | RPR128515 | methyl (2R,3R)-2-{3-[ami...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN)c1 |r|
Show InChI InChI=1S/C27H30N4O3/c1-17(24(27(33)34-2)15-18-5-3-8-23(13-18)25(29)30)31-26(32)21-11-9-20(10-12-21)22-7-4-6-19(14-22)16-28/h3-14,17,24H,15-16,28H2,1-2H3,(H3,29,30)(H,31,32)/t17-,24-/m1/s1
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0.900 -51.1n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 43: 3226-32 (2000)


Article DOI: 10.1021/jm000940u
BindingDB Entry DOI: 10.7270/Q25H7DHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50111966
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-benz...)
Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3cc4ccc(Cl)cc4s3)ccc12
Show InChI InChI=1S/C21H18ClN5O3S2/c22-15-3-2-14-8-20(31-18(14)9-15)32(29,30)27-6-5-26(19(28)11-27)10-13-1-4-16-17(7-13)24-12-25-21(16)23/h1-4,7-9,12H,5-6,10-11H2,(H2,23,24,25)
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1n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12594
PNG
(4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)
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1n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12596
PNG
(4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1...)
Show SMILES Clc1ccc(C=CS(=O)(=O)N2CCN(Cc3cc4cnccc4[nH]3)C(=O)C2)s1 |w:5.4|
Show InChI InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2
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1.10 -50.6n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM12594
PNG
(4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1ccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-6-5-15-9-19(29-17(15)10-16)30(27,28)25-8-7-24(18(26)12-25)11-13-1-3-14(4-2-13)20(22)23/h1-6,9-10H,7-8,11-12H2,(H3,22,23)
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1.30 -50.2n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50081505
PNG
(3-[(S)-3-(5-Chloro-thieno[3,2-b]pyridine-2-sulfony...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1
Show InChI InChI=1S/C19H18ClN5O4S2/c20-16-4-3-15-13(23-16)8-17(30-15)31(28,29)24-12-5-6-25(19(12)27)9-11-7-10(18(21)22)1-2-14(11)26/h1-4,7-8,12,24,26H,5-6,9H2,(H3,21,22)/t12-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease factor Xa (fXa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081512
PNG
(3-[(S)-3-(4-Chloro-thieno[3,2-c]pyridine-2-sulfony...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1
Show InChI InChI=1S/C19H18ClN5O4S2/c20-17-12-8-16(30-15(12)3-5-23-17)31(28,29)24-13-4-6-25(19(13)27)9-11-7-10(18(21)22)1-2-14(11)26/h1-3,5,7-8,13,24,26H,4,6,9H2,(H3,21,22)/t13-/m0/s1
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2n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease factor Xa (fXa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13304
PNG
(4-hydroxy-3-[((3S)-2-oxo-3-{[(5-pyridin-3-ylthien-...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
Show InChI InChI=1S/C21H21N5O4S2/c22-20(23)13-3-4-17(27)15(10-13)12-26-9-7-16(21(26)28)25-32(29,30)19-6-5-18(31-19)14-2-1-8-24-11-14/h1-6,8,10-11,16,25,27H,7,9,12H2,(H3,22,23)/t16-/m0/s1
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2n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081499
PNG
(4-Hydroxy-3-[(S)-2-oxo-3-(thieno[2,3-c]pyridine-2-...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccncc4s3)C2=O)c1
Show InChI InChI=1S/C19H19N5O4S2/c20-18(21)12-1-2-15(25)13(7-12)10-24-6-4-14(19(24)26)23-30(27,28)17-8-11-3-5-22-9-16(11)29-17/h1-3,5,7-9,14,23,25H,4,6,10H2,(H3,20,21)/t14-/m0/s1
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2n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease Coagulation factor X


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081517
PNG
(4-Hydroxy-3-[(S)-2-oxo-3-(thieno[3,2-c]pyridine-2-...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4cnccc4s3)C2=O)c1
Show InChI InChI=1S/C19H19N5O4S2/c20-18(21)11-1-2-15(25)13(7-11)10-24-6-4-14(19(24)26)23-30(27,28)17-8-12-9-22-5-3-16(12)29-17/h1-3,5,7-9,14,23,25H,4,6,10H2,(H3,20,21)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease factor Xa (fXa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13286
PNG
(4-Hydroxy-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfon...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2O)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H24N4O5S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)26-20-8-9-27(23(20)29)13-17-10-15(22(24)25)4-7-21(17)28/h2-7,10-12,20,26,28H,8-9,13H2,1H3,(H3,24,25)/t20-/m0/s1
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3 -48.2n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081510
PNG
(4-Amino-3-[(S)-3-(5-chloro-thieno[3,2-b]pyridine-2...)
Show SMILES NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3cc4nc(Cl)ccc4s3)C2=O)c1
Show InChI InChI=1S/C19H19ClN6O3S2/c20-16-4-3-15-14(24-16)8-17(30-15)31(28,29)25-13-5-6-26(19(13)27)9-11-7-10(18(22)23)1-2-12(11)21/h1-4,7-8,13,25H,5-6,9,21H2,(H3,22,23)/t13-/m0/s1
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3n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease factor Xa (fXa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111958
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(CC3=O)S(=O)(=O)c3nc4ccc(Cl)cc4[nH]3)ccc12
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-2-4-15-17(8-13)26-20(25-15)32(30,31)28-6-5-27(18(29)10-28)9-12-1-3-14-16(7-12)23-11-24-19(14)22/h1-4,7-8,11H,5-6,9-10H2,(H,25,26)(H2,22,23,24)
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3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


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



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease Coagulation factor X


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12595
PNG
(4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-...)
Show SMILES OCCn1c(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc2cnccc12
Show InChI InChI=1S/C22H21ClN4O4S2/c23-17-2-1-15-10-22(32-20(15)11-17)33(30,31)26-6-5-25(21(29)14-26)13-18-9-16-12-24-4-3-19(16)27(18)7-8-28/h1-4,9-12,28H,5-8,13-14H2
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3 -48.2n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM13306
PNG
(4-Hydroxy-3-[3-(S)-(5-isoxazol-3-ylthiophene-2-yls...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1 |r|
Show InChI InChI=1S/C19H19N5O5S2/c20-18(21)11-1-2-15(25)12(9-11)10-24-7-5-14(19(24)26)23-31(27,28)17-4-3-16(30-17)13-6-8-29-22-13/h1-4,6,8-9,14,23,25H,5,7,10H2,(H3,20,21)/t14-/m0/s1
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3n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13283
PNG
(4-amino-3-({(3S)-3-[[(7-methoxy-2-naphthyl)sulfony...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
Show InChI InChI=1S/C24H27N5O4S/c1-28(34(31,32)20-7-4-15-3-6-19(33-2)12-17(15)13-20)22-9-10-29(24(22)30)14-18-11-16(23(26)27)5-8-21(18)25/h3-8,11-13,22H,9-10,14,25H2,1-2H3,(H3,26,27)/t22-/m0/s1
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4 -47.5n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081515
PNG
(4-Amino-3-[(S)-3-(5-methoxy-thieno[3,2-b]pyridine-...)
Show SMILES COc1ccc2sc(cc2n1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O
Show InChI InChI=1S/C20H22N6O4S2/c1-30-17-5-4-16-15(24-17)9-18(31-16)32(28,29)25-14-6-7-26(20(14)27)10-12-8-11(19(22)23)2-3-13(12)21/h2-5,8-9,14,25H,6-7,10,21H2,1H3,(H3,22,23)/t14-/m0/s1
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5n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease factor Xa (fXa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081506
PNG
(3-[(S)-3-(7-Chloro-thieno[2,3-c]pyridine-2-sulfony...)
Show SMILES NC(=N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccnc(Cl)c4s3)C2=O)c1
Show InChI InChI=1S/C19H18ClN5O4S2/c20-17-16-10(3-5-23-17)8-15(30-16)31(28,29)24-13-4-6-25(19(13)27)9-12-7-11(18(21)22)1-2-14(12)26/h1-3,5,7-8,13,24,26H,4,6,9H2,(H3,21,22)/t13-/m0/s1
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5n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease factor Xa (fXa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM13281
PNG
(4-Amino-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfonyl...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H25N5O4S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)27-21-8-9-28(23(21)29)13-17-10-15(22(25)26)4-7-20(17)24/h2-7,10-12,21,27H,8-9,13,24H2,1H3,(H3,25,26)/t21-/m0/s1
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6n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex


Bioorg Med Chem Lett 9: 2539-44 (1999)


BindingDB Entry DOI: 10.7270/Q21R6R1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50081009
PNG
(CHEMBL85938 | Thieno[3,2-b]pyridine-2-sulfonic aci...)
Show SMILES Nc1cc2ccnc(N)c2cc1CN1CC[C@H](NS(=O)(=O)c2cc3ncccc3s2)C1=O
Show InChI InChI=1S/C21H20N6O3S2/c22-15-9-12-3-6-25-20(23)14(12)8-13(15)11-27-7-4-16(21(27)28)26-32(29,30)19-10-17-18(31-19)2-1-5-24-17/h1-3,5-6,8-10,16,26H,4,7,11,22H2,(H2,23,25)/t16-/m0/s1
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6n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex


Bioorg Med Chem Lett 9: 2539-44 (1999)


BindingDB Entry DOI: 10.7270/Q21R6R1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13281
PNG
(4-Amino-3-[3-(S)-(7-methoxynaphthalen-2-ylsulfonyl...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2cc(ccc2N)C(N)=N)C1=O |r|
Show InChI InChI=1S/C23H25N5O4S/c1-32-18-5-2-14-3-6-19(12-16(14)11-18)33(30,31)27-21-8-9-28(23(21)29)13-17-10-15(22(25)26)4-7-20(17)24/h2-7,10-12,21,27H,8-9,13,24H2,1H3,(H3,25,26)/t21-/m0/s1
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6 -46.5n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13303
PNG
(4-Amino-3-[2-oxo-3-(S)-(5-pyridin-3-ylthiophene-2-...)
Show SMILES NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3cccnc3)C2=O)c1 |r|
Show InChI InChI=1S/C21H22N6O3S2/c22-16-4-3-13(20(23)24)10-15(16)12-27-9-7-17(21(27)28)26-32(29,30)19-6-5-18(31-19)14-2-1-8-25-11-14/h1-6,8,10-11,17,26H,7,9,12,22H2,(H3,23,24)/t17-/m0/s1
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6n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13279
PNG
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
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6.90 -46.1n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13305
PNG
(4-Amino-3-[3-(S)-(5-isoxazol-3-ylthiophene-2-ylsul...)
Show SMILES NC(=N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(s3)-c3ccon3)C2=O)c1 |r|
Show InChI InChI=1S/C19H20N6O4S2/c20-13-2-1-11(18(21)22)9-12(13)10-25-7-5-15(19(25)26)24-31(27,28)17-4-3-16(30-17)14-6-8-29-23-14/h1-4,6,8-9,15,24H,5,7,10,20H2,(H3,21,22)/t15-/m0/s1
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7n/an/an/an/an/an/an/an/a



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13279
PNG
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
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7n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM13279
PNG
(4-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C22H24N4O4S2/c1-25(19-7-8-26(22(19)27)12-14-9-20(21(23)24)31-13-14)32(28,29)18-6-4-15-3-5-17(30-2)10-16(15)11-18/h3-6,9-11,13,19H,7-8,12H2,1-2H3,(H3,23,24)/t19-/m0/s1
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7n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex


Bioorg Med Chem Lett 9: 2539-44 (1999)


BindingDB Entry DOI: 10.7270/Q21R6R1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13288
PNG
(Sulfonamidopyrrolidinone 27 | methyl 2-(4-carbamim...)
Show SMILES COC(=O)COc1ccc(cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O)C(N)=N |r|
Show InChI InChI=1S/C26H28N4O7S/c1-35-20-6-3-16-4-7-21(13-18(16)12-20)38(33,34)29-22-9-10-30(26(22)32)14-19-11-17(25(27)28)5-8-23(19)37-15-24(31)36-2/h3-8,11-13,22,29H,9-10,14-15H2,1-2H3,(H3,27,28)/t22-/m0/s1
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8 -45.7n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111955
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1H-b...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Cl)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H20ClN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25)
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10n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080482
PNG
(4-[(S)-3-(7-Methoxy-naphthalene-2-sulfonylamino)-2...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N[C@H]1CCN(Cc2csc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C21H22N4O4S2/c1-29-16-4-2-14-3-5-17(10-15(14)9-16)31(27,28)24-18-6-7-25(21(18)26)11-13-8-19(20(22)23)30-12-13/h2-5,8-10,12,18,24H,6-7,11H2,1H3,(H3,22,23)/t18-/m0/s1
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11n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Serine protease 1


(Bos taurus (bovine))
BDBM13288
PNG
(Sulfonamidopyrrolidinone 27 | methyl 2-(4-carbamim...)
Show SMILES COC(=O)COc1ccc(cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O)C(N)=N |r|
Show InChI InChI=1S/C26H28N4O7S/c1-35-20-6-3-16-4-7-21(13-18(16)12-20)38(33,34)29-22-9-10-30(26(22)32)14-19-11-17(25(27)28)5-8-23(19)37-15-24(31)36-2/h3-8,11-13,22,29H,9-10,14-15H2,1-2H3,(H3,27,28)/t22-/m0/s1
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12 -44.8n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50090593
PNG
(2-[4-(6-Chloro-benzo[b]thiophene-2-sulfonyl)-2-oxo...)
Show SMILES Cn1cncc1CCNC(=O)CN1CCN(CC1=O)S(=O)(=O)c1cc2ccc(Cl)cc2s1
Show InChI InChI=1S/C20H22ClN5O4S2/c1-24-13-22-10-16(24)4-5-23-18(27)11-25-6-7-26(12-19(25)28)32(29,30)20-8-14-2-3-15(21)9-17(14)31-20/h2-3,8-10,13H,4-7,11-12H2,1H3,(H,23,27)
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12n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111963
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-bromo-1H-be...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4nc5ccc(Br)cc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C21H20BrN7O/c22-14-2-4-16-18(8-14)27-19(26-16)10-28-5-6-29(20(30)11-28)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H,26,27)(H2,23,24,25)
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17n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12592
PNG
(3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXO...)
Show SMILES NC(=N)c1cccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)c1
Show InChI InChI=1S/C20H19ClN4O3S2/c21-16-5-4-14-9-19(29-17(14)10-16)30(27,28)25-7-6-24(18(26)12-25)11-13-2-1-3-15(8-13)20(22)23/h1-5,8-10H,6-7,11-12H2,(H3,22,23)
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Article
PubMed
18 -43.8n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 46: 685-90 (2003)


Article DOI: 10.1021/jm0203837
BindingDB Entry DOI: 10.7270/Q2VH5M2S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM14057
PNG
(N-[(3S)-1-(4,7-diazabicyclo[4.3.0]nona-2,4,8,10-te...)
Show SMILES O=C1[C@H](CCN1Cc1cc2ccncc2[nH]1)NS(=O)(=O)c1cc2ncccc2s1 |r|
Show InChI InChI=1S/C19H17N5O3S2/c25-19-14(23-29(26,27)18-9-15-17(28-18)2-1-5-21-15)4-7-24(19)11-13-8-12-3-6-20-10-16(12)22-13/h1-3,5-6,8-10,14,22-23H,4,7,11H2/t14-/m0/s1
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18 -43.8n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 43: 3226-32 (2000)


Article DOI: 10.1021/jm000940u
BindingDB Entry DOI: 10.7270/Q25H7DHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM50080498
PNG
(3-{(S)-3-[(7-Methoxy-naphthalene-2-sulfonyl)-thiop...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccsc1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C28H28N4O4S2/c1-36-24-7-5-21-6-8-25(15-23(21)14-24)38(34,35)32(17-20-10-12-37-18-20)26-9-11-31(28(26)33)16-19-3-2-4-22(13-19)27(29)30/h2-8,10,12-15,18,26H,9,11,16-17H2,1H3,(H3,29,30)/t26-/m0/s1
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19n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080503
PNG
(3-{(S)-3-[(7-Methoxy-naphthalene-2-sulfonyl)-(1H-p...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccn[nH]1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C27H28N6O4S/c1-37-23-7-5-19-6-8-24(15-21(19)14-23)38(35,36)33(17-22-9-11-30-31-22)25-10-12-32(27(25)34)16-18-3-2-4-20(13-18)26(28)29/h2-9,11,13-15,25H,10,12,16-17H2,1H3,(H3,28,29)(H,30,31)/t25-/m0/s1
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21n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13282
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C24H26N4O4S/c1-27(33(30,31)21-9-7-17-6-8-20(32-2)13-19(17)14-21)22-10-11-28(24(22)29)15-16-4-3-5-18(12-16)23(25)26/h3-9,12-14,22H,10-11,15H2,1-2H3,(H3,25,26)/t22-/m0/s1
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22 -43.3n/an/an/an/an/a7.522



Rhone-Poulenc Rorer



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 42: 3572-87 (1999)


Article DOI: 10.1021/jm990041+
BindingDB Entry DOI: 10.7270/Q2KW5D9R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13282
PNG
(3-{[(3S)-3-[(7-methoxynaphthalene-2-)(methyl)sulfo...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(C)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O |r|
Show InChI InChI=1S/C24H26N4O4S/c1-27(33(30,31)21-9-7-17-6-8-20(32-2)13-19(17)14-21)22-10-11-28(24(22)29)15-16-4-3-5-18(12-16)23(25)26/h3-9,12-14,22H,10-11,15H2,1-2H3,(H3,25,26)/t22-/m0/s1
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22n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM14058
PNG
(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)
Show SMILES Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12 |r|
Show InChI InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1
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22 -43.3n/an/an/an/an/a7.522



Aventis Pharma



Assay Description
The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...


J Med Chem 43: 3226-32 (2000)


Article DOI: 10.1021/jm000940u
BindingDB Entry DOI: 10.7270/Q25H7DHP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Bos taurus)
BDBM14058
PNG
(CHEMBL316053 | N-[(3S)-1-[(1-aminoisoquinolin-7-yl...)
Show SMILES Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12 |r|
Show InChI InChI=1S/C21H19N5O3S2/c22-20-15-10-13(3-4-14(15)5-8-24-20)12-26-9-6-16(21(26)27)25-31(28,29)19-11-17-18(30-19)2-1-7-23-17/h1-5,7-8,10-11,16,25H,6,9,12H2,(H2,22,24)/t16-/m0/s1
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22n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex


Bioorg Med Chem Lett 9: 2539-44 (1999)


BindingDB Entry DOI: 10.7270/Q21R6R1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50111957
PNG
(1-(4-Amino-quinazolin-7-ylmethyl)-4-(5-chloro-1H-i...)
Show SMILES Nc1ncnc2cc(CN3CCN(Cc4cc5cc(Cl)ccc5[nH]4)CC3=O)ccc12
Show InChI InChI=1S/C22H21ClN6O/c23-16-2-4-19-15(8-16)9-17(27-19)11-28-5-6-29(21(30)12-28)10-14-1-3-18-20(7-14)25-13-26-22(18)24/h1-4,7-9,13,27H,5-6,10-12H2,(H2,24,25,26)
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24n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 919-22 (2002)


BindingDB Entry DOI: 10.7270/Q28C9VJT
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080475
PNG
(2-[[(S)-1-(3-Carbamimidoyl-benzyl)-2-oxo-pyrrolidi...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(CC(N)=O)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C25H27N5O5S/c1-35-20-7-5-17-6-8-21(13-19(17)12-20)36(33,34)30(15-23(26)31)22-9-10-29(25(22)32)14-16-3-2-4-18(11-16)24(27)28/h2-8,11-13,22H,9-10,14-15H2,1H3,(H2,26,31)(H3,27,28)/t22-/m0/s1
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25n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
Coagulation factor X


(Bos taurus)
BDBM50081011
PNG
(3-[(S)-2-Oxo-3-(thieno[3,2-b]pyridine-2-sulfonylam...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1
Show InChI InChI=1S/C19H19N5O3S2/c20-18(21)13-4-1-3-12(9-13)11-24-8-6-14(19(24)25)23-29(26,27)17-10-15-16(28-17)5-2-7-22-15/h1-5,7,9-10,14,23H,6,8,11H2,(H3,20,21)/t14-/m0/s1
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26n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
In vitro evaluation of inhibitory activity against Coagulation factor X in prothrombinase complex


Bioorg Med Chem Lett 9: 2539-44 (1999)


BindingDB Entry DOI: 10.7270/Q21R6R1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50081011
PNG
(3-[(S)-2-Oxo-3-(thieno[3,2-b]pyridine-2-sulfonylam...)
Show SMILES NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1
Show InChI InChI=1S/C19H19N5O3S2/c20-18(21)13-4-1-3-12(9-13)11-24-8-6-14(19(24)25)23-29(26,27)17-10-15-16(28-17)5-2-7-22-15/h1-5,7,9-10,14,23H,6,8,11H2,(H3,20,21)/t14-/m0/s1
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26n/an/an/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Binding affinity against serine protease factor Xa (fXa)


Bioorg Med Chem Lett 9: 2753-8 (1999)


BindingDB Entry DOI: 10.7270/Q2W66K02
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50080500
PNG
(3-{(S)-3-[(7-Methoxy-naphthalene-2-sulfonyl)-pyrid...)
Show SMILES COc1ccc2ccc(cc2c1)S(=O)(=O)N(Cc1ccccn1)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
Show InChI InChI=1S/C29H29N5O4S/c1-38-25-10-8-21-9-11-26(17-23(21)16-25)39(36,37)34(19-24-7-2-3-13-32-24)27-12-14-33(29(27)35)18-20-5-4-6-22(15-20)28(30)31/h2-11,13,15-17,27H,12,14,18-19H2,1H3,(H3,30,31)/t27-/m0/s1
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31n/an/an/an/an/an/an/an/a



Rh£ne-Poulenc Rorer

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of human Coagulation factor Xa


J Med Chem 42: 3557-71 (1999)


Article DOI: 10.1021/jm990040h
BindingDB Entry DOI: 10.7270/Q2M04640
More data for this
Ligand-Target Pair
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