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Compile Data Set for Download or QSAR

Found 882 hits with Last Name = 'colussi' and Initial = 'd'   
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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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))
BDBM50114534
PNG
((2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-am...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CC(C)C)NC(=O)c1ccc(cc1)-c1cccc(CN)c1
Show InChI InChI=1S/C30H36N4O3/c1-19(2)14-27(26(30(36)37-3)17-20-6-4-9-25(15-20)28(32)33)34-29(35)23-12-10-22(11-13-23)24-8-5-7-21(16-24)18-31/h4-13,15-16,19,26-27H,14,17-18,31H2,1-3H3,(H3,32,33)(H,34,35)/t26-,27-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114539
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1-oxy-pyr...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+]([O-])cc1
Show InChI InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)15-17-4-3-5-21(14-17)23(26)27)28-24(30)20-8-6-18(7-9-20)19-10-12-29(32)13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
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))
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



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114544
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-4-...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C25H26N4O3/c1-16(22(25(31)32-2)15-17-4-3-5-21(14-17)23(26)27)29-24(30)20-8-6-18(7-9-20)19-10-12-28-13-11-19/h3-14,16,22H,15H2,1-2H3,(H3,26,27)(H,29,30)/t16-,22-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114543
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1-oxy-pyr...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc[n+]1[O-]
Show InChI InChI=1S/C25H26N4O4/c1-16(21(25(31)33-2)15-17-6-5-7-20(14-17)23(26)27)28-24(30)19-11-9-18(10-12-19)22-8-3-4-13-29(22)32/h3-14,16,21H,15H2,1-2H3,(H3,26,27)(H,28,30)/t16-,21-/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
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))
BDBM50114536
PNG
((2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-am...)
Show SMILES CC[C@@H](NC(=O)c1ccc(cc1)-c1cccc(CN)c1)[C@@H](Cc1cccc(c1)C(N)=N)C(=O)OC
Show InChI InChI=1S/C28H32N4O3/c1-3-25(24(28(34)35-2)16-18-6-4-9-23(14-18)26(30)31)32-27(33)21-12-10-20(11-13-21)22-8-5-7-19(15-22)17-29/h4-15,24-25H,3,16-17,29H2,1-2H3,(H3,30,31)(H,32,33)/t24-,25-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


BindingDB Entry DOI: 10.7270/Q2GM86MR
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))
BDBM50114540
PNG
(3-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccc[n+](C)c1
Show InChI InChI=1S/C26H28N4O3/c1-17(23(26(32)33-3)15-18-6-4-7-21(14-18)24(27)28)29-25(31)20-11-9-19(10-12-20)22-8-5-13-30(2)16-22/h4-14,16-17,23H,15H2,1-3H3,(H3-,27,28,29,31)/p+1/t17-,23-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114537
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-2-...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C25H26N4O3/c1-16(21(25(31)32-2)15-17-6-5-7-20(14-17)23(26)27)29-24(30)19-11-9-18(10-12-19)22-8-3-4-13-28-22/h3-14,16,21H,15H2,1-2H3,(H3,26,27)(H,29,30)/t16-,21-/m1/s1
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0.890n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
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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0.900n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


BindingDB Entry DOI: 10.7270/Q2GM86MR
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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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))
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))
BDBM50114531
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(3'-dimethyl...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc(CN(C)C)c1
Show InChI InChI=1S/C29H34N4O3/c1-19(26(29(35)36-4)17-20-7-5-10-25(15-20)27(30)31)32-28(34)23-13-11-22(12-14-23)24-9-6-8-21(16-24)18-33(2)3/h5-16,19,26H,17-18H2,1-4H3,(H3,30,31)(H,32,34)/t19-,26-/m1/s1
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1n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114548
PNG
(2-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cccc[n+]1C
Show InChI InChI=1S/C26H28N4O3/c1-17(22(26(32)33-3)16-18-7-6-8-21(15-18)24(27)28)29-25(31)20-12-10-19(11-13-20)23-9-4-5-14-30(23)2/h4-15,17,22H,16H2,1-3H3,(H3-,27,28,29,31)/p+1/t17-,22-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
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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1.30n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 1737-9 (2000)


BindingDB Entry DOI: 10.7270/Q23777Z2
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))
BDBM50114547
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1-oxy-pyr...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccc[n+]([O-])c1
Show InChI InChI=1S/C25H26N4O4/c1-16(22(25(31)33-2)14-17-5-3-6-20(13-17)23(26)27)28-24(30)19-10-8-18(9-11-19)21-7-4-12-29(32)15-21/h3-13,15-16,22H,14H2,1-2H3,(H3,26,27)(H,28,30)/t16-,22-/m1/s1
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2n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
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))
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))
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))
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))
BDBM50114528
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[(4'-carbamoy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C27H28N4O4/c1-16(23(27(34)35-2)15-17-4-3-5-22(14-17)24(28)29)31-26(33)21-12-8-19(9-13-21)18-6-10-20(11-7-18)25(30)32/h3-14,16,23H,15H2,1-2H3,(H3,28,29)(H2,30,32)(H,31,33)/t16-,23-/m1/s1
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2n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


BindingDB Entry DOI: 10.7270/Q2GM86MR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114542
PNG
(4-{4-[(1R,2R)-3-(3-Carbamimidoyl-phenyl)-2-methoxy...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1cc[n+](C)cc1
Show InChI InChI=1S/C26H28N4O3/c1-17(23(26(32)33-3)16-18-5-4-6-22(15-18)24(27)28)29-25(31)21-9-7-19(8-10-21)20-11-13-30(2)14-12-20/h4-15,17,23H,16H2,1-3H3,(H3-,27,28,29,31)/p+1/t17-,23-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
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))
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))
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))
BDBM50114538
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidaz...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1c[nH]cn1
Show InChI InChI=1S/C23H25N5O3/c1-14(19(23(30)31-2)11-15-4-3-5-18(10-15)21(24)25)28-22(29)17-8-6-16(7-9-17)20-12-26-13-27-20/h3-10,12-14,19H,11H2,1-2H3,(H3,24,25)(H,26,27)(H,28,29)/t14-,19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
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))
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))
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))
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))
BDBM50114530
PNG
((2R,3R)-3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-am...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](CC1CCCCC1)NC(=O)c1ccc(cc1)-c1cccc(CN)c1
Show InChI InChI=1S/C33H40N4O3/c1-40-33(39)29(19-23-9-5-12-28(17-23)31(35)36)30(20-22-7-3-2-4-8-22)37-32(38)26-15-13-25(14-16-26)27-11-6-10-24(18-27)21-34/h5-6,9-18,22,29-30H,2-4,7-8,19-21,34H2,1H3,(H3,35,36)(H,37,38)/t29-,30-/m1/s1
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4n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


BindingDB Entry DOI: 10.7270/Q2GM86MR
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


(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))
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))
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))
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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5.30n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Coagulation factor Xa


Bioorg Med Chem Lett 12: 1667-70 (2002)


BindingDB Entry DOI: 10.7270/Q2GM86MR
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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5.30n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50114541
PNG
((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-imidazol-1...)
Show SMILES COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C23H25N5O3/c1-15(20(23(30)31-2)13-16-4-3-5-18(12-16)21(24)25)27-22(29)17-6-8-19(9-7-17)28-11-10-26-14-28/h3-12,14-15,20H,13H2,1-2H3,(H3,24,25)(H,27,29)/t15-,20-/m1/s1
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6n/an/an/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inibition of Coagulation factor Xa


Bioorg Med Chem Lett 12: 1671-4 (2002)


BindingDB Entry DOI: 10.7270/Q2BV7FXG
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


(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


(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


(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))
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))
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
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