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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'wildgoose' and Initial = 'p'   
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))
BDBM50096459
PNG
(1-(3-Carbamimidoyl-benzyl)-4-hydroxy-1H-indole-2-c...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C24H20Cl2N4O2/c25-17-8-15(9-18(26)10-17)12-29-24(32)21-11-19-20(5-2-6-22(19)31)30(21)13-14-3-1-4-16(7-14)23(27)28/h1-11,31H,12-13H2,(H3,27,28)(H,29,32)
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5n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease factor Xa (fXa) was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13863
PNG
(3-amidinobenzylindole carboxamide 47 | N,1-bis[(3-...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H26N6O/c1-16-5-2-10-22-21(16)13-23(32(22)15-18-7-4-9-20(12-18)25(29)30)26(33)31-14-17-6-3-8-19(11-17)24(27)28/h2-13H,14-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,33)
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7n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13866
PNG
(3-amidinobenzylindole carboxamide 50 | CHEMBL30744...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N6O2/c26-23(27)17-6-1-4-15(10-17)13-30-25(33)21-12-19-20(8-3-9-22(19)32)31(21)14-16-5-2-7-18(11-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)
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9n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13825
PNG
(3-amidinobenzylindole carboxamide 9 | N,1-bis[(3-c...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H23ClN6O/c26-21-19-9-1-2-10-20(19)32(14-16-6-4-8-18(12-16)24(29)30)22(21)25(33)31-13-15-5-3-7-17(11-15)23(27)28/h1-12H,13-14H2,(H3,27,28)(H3,29,30)(H,31,33)
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9 -45.9n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13866
PNG
(3-amidinobenzylindole carboxamide 50 | CHEMBL30744...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N6O2/c26-23(27)17-6-1-4-15(10-17)13-30-25(33)21-12-19-20(8-3-9-22(19)32)31(21)14-16-5-2-7-18(11-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)
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9n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease factor Xa (fXa) was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13861
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethyl...)
Show SMILES Cc1cc(C)cc(CNC(=O)c2cc3c(C)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C27H28N4O/c1-17-10-18(2)12-21(11-17)15-30-27(32)25-14-23-19(3)6-4-9-24(23)31(25)16-20-7-5-8-22(13-20)26(28)29/h4-14H,15-16H2,1-3H3,(H3,28,29)(H,30,32)
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9n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM13862
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethyl...)
Show SMILES Cc1cc(C)cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C26H26N4O2/c1-16-9-17(2)11-19(10-16)14-29-26(32)23-13-21-22(7-4-8-24(21)31)30(23)15-18-5-3-6-20(12-18)25(27)28/h3-13,31H,14-15H2,1-2H3,(H3,27,28)(H,29,32)
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11n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease factor Xa (fXa) was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13862
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethyl...)
Show SMILES Cc1cc(C)cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C26H26N4O2/c1-16-9-17(2)11-19(10-16)14-29-26(32)23-13-21-22(7-4-8-24(21)31)30(23)15-18-5-3-6-20(12-18)25(27)28/h3-13,31H,14-15H2,1-2H3,(H3,27,28)(H,29,32)
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11n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13880
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-{[3-...)
Show SMILES Cc1cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)cc(c1)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O2/c1-15-8-17(11-19(9-15)26(27,28)29)13-32-25(35)22-12-20-21(6-3-7-23(20)34)33(22)14-16-4-2-5-18(10-16)24(30)31/h2-12,34H,13-14H2,1H3,(H3,30,31)(H,32,35)
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13n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13820
PNG
(3-amidinobenzylindole carboxamide 4 | 3-bromo-1-[(...)
Show SMILES Cc1cc(C)cc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C26H25BrN4O/c1-16-10-17(2)12-19(11-16)14-30-26(32)24-23(27)21-8-3-4-9-22(21)31(24)15-18-6-5-7-20(13-18)25(28)29/h3-13H,14-15H2,1-2H3,(H3,28,29)(H,30,32)
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13 -45.0n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13898
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)C
Show InChI InChI=1S/C28H31N5O/c1-19-7-5-10-25-24(19)16-26(32(25)18-21-8-6-9-22(15-21)27(29)30)28(34)31-17-20-11-13-23(14-12-20)33(2,3)4/h5-16H,17-18H2,1-4H3,(H3-,29,30,31,34)/p+1
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14n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13869
PNG
(3-amidinobenzylindole carboxamide 53 | N,1-bis[(3-...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N6O/c26-23(27)19-8-3-5-16(11-19)14-30-25(32)22-13-18-7-1-2-10-21(18)31(22)15-17-6-4-9-20(12-17)24(28)29/h1-13H,14-15H2,(H3,26,27)(H3,28,29)(H,30,32)
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19n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13885
PNG
(2,2,2-trifluoroacetate; N-benzyl-4-[({1-[(3-carbam...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)Cc1ccccc1
Show InChI InChI=1S/C34H35N5O/c1-24-9-7-14-31-30(24)20-32(38(31)22-27-12-8-13-28(19-27)33(35)36)34(40)37-21-25-15-17-29(18-16-25)39(2,3)23-26-10-5-4-6-11-26/h4-20H,21-23H2,1-3H3,(H3-,35,36,37,40)/p+1
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23n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50126575
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[1-(3-oxo-...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H22N6O4/c1-11(13-4-7-16-15(8-13)26-18(28)10-30-16)24-17(27)9-23-20(29)25-14-5-2-12(3-6-14)19(21)22/h2-8,11H,9-10H2,1H3,(H3,21,22)(H,24,27)(H,26,28)(H2,23,25,29)
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23n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)


Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM12402
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dichloro...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C25H22Cl2N4O/c1-15-4-2-7-22-21(15)12-23(25(32)30-13-17-9-19(26)11-20(27)10-17)31(22)14-16-5-3-6-18(8-16)24(28)29/h2-12H,13-14H2,1H3,(H3,28,29)(H,30,32)
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25n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM13837
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(1-carbamimid...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCC1CCN(CC1)C(N)=N
Show InChI InChI=1S/C25H31N7O/c1-16-4-2-7-21-20(16)13-22(32(21)15-18-5-3-6-19(12-18)23(26)27)24(33)30-14-17-8-10-31(11-9-17)25(28)29/h2-7,12-13,17H,8-11,14-15H2,1H3,(H3,26,27)(H3,28,29)(H,30,33)
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25n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13822
PNG
(3-amidinobenzylindole carboxamide 6 | 3-bromo-N,1-...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2c(Br)c3ccccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H23BrN6O/c26-21-19-9-1-2-10-20(19)32(14-16-6-4-8-18(12-16)24(29)30)22(21)25(33)31-13-15-5-3-7-17(11-15)23(27)28/h1-12H,13-14H2,(H3,27,28)(H3,29,30)(H,31,33)
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26 -43.3n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50126571
PNG
(CHEMBL35586 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1cccc(Br)c1
Show InChI InChI=1S/C18H20BrN5O2/c1-11(13-3-2-4-14(19)9-13)23-16(25)10-22-18(26)24-15-7-5-12(6-8-15)17(20)21/h2-9,11H,10H2,1H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t11-/m0/s1
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27n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)


Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50126572
PNG
(CHEMBL35754 | N-[1-(2,4-Bis-trifluoromethyl-phenyl...)
Show SMILES CC(NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc(cc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H19F6N5O2/c1-10(14-7-4-12(19(21,22)23)8-15(14)20(24,25)26)30-16(32)9-29-18(33)31-13-5-2-11(3-6-13)17(27)28/h2-8,10H,9H2,1H3,(H3,27,28)(H,30,32)(H2,29,31,33)
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27n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)


Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13897
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H29N5O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34)/p+1
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28n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13897
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H29N5O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34)/p+1
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28n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease factor Xa (fXa) was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50126579
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(3-...)
Show SMILES COc1cccc(c1)[C@H](C)NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C19H23N5O3/c1-12(14-4-3-5-16(10-14)27-2)23-17(25)11-22-19(26)24-15-8-6-13(7-9-15)18(20)21/h3-10,12H,11H2,1-2H3,(H3,20,21)(H,23,25)(H2,22,24,26)/t12-/m0/s1
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35n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)


Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13874
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-{[3-fluoro-5-(...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(F)cc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H20F4N4O2/c26-18-9-15(8-17(10-18)25(27,28)29)12-32-24(35)21-11-19-20(5-2-6-22(19)34)33(21)13-14-3-1-4-16(7-14)23(30)31/h1-11,34H,12-13H2,(H3,30,31)(H,32,35)
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39n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13826
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2c(Cl)c3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H28ClN5O/c1-33(2,3)21-13-11-18(12-14-21)16-31-27(34)25-24(28)22-9-4-5-10-23(22)32(25)17-19-7-6-8-20(15-19)26(29)30/h4-15H,16-17H2,1-3H3,(H3-,29,30,31,34)/p+1
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40 -42.2n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13877
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(I)c2)c1
Show InChI InChI=1S/C24H21IN4O2/c25-18-7-2-4-15(11-18)13-28-24(31)21-12-19-20(8-3-9-22(19)30)29(21)14-16-5-1-6-17(10-16)23(26)27/h1-12,30H,13-14H2,(H3,26,27)(H,28,31)
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42n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13838
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[n+]1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c2ccccc12
Show InChI InChI=1S/C28H25N5O2/c1-32-13-12-20(21-8-2-3-9-23(21)32)16-31-28(35)25-15-22-24(10-5-11-26(22)34)33(25)17-18-6-4-7-19(14-18)27(29)30/h2-15H,16-17H2,1H3,(H4-,29,30,31,34,35)/p+1
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50n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13821
PNG
(3-amidinobenzylindole carboxamide 5 | 3-bromo-N,1-...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(C(=O)NCc3cccc(c3)C(N)=N)c(Br)c12
Show InChI InChI=1S/C26H25BrN6O/c1-15-5-2-10-20-21(15)22(27)23(33(20)14-17-7-4-9-19(12-17)25(30)31)26(34)32-13-16-6-3-8-18(11-16)24(28)29/h2-12H,13-14H2,1H3,(H3,28,29)(H3,30,31)(H,32,34)
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50 -41.7n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13865
PNG
(3-amidinobenzylindole carboxamide 49 | 5-amino-N,1...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H25N7O/c26-20-7-8-21-19(11-20)12-22(32(21)14-16-4-2-6-18(10-16)24(29)30)25(33)31-13-15-3-1-5-17(9-15)23(27)28/h1-12H,13-14,26H2,(H3,27,28)(H3,29,30)(H,31,33)
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51n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13864
PNG
((3-carbamimidoylphenyl)methyl 5-(benzyloxy)-1-[(3-...)
Show SMILES NC(=N)c1cccc(COC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C32H29N5O3/c33-30(34)24-10-4-8-22(14-24)18-37-28-13-12-27(39-19-21-6-2-1-3-7-21)16-26(28)17-29(37)32(38)40-20-23-9-5-11-25(15-23)31(35)36/h1-17H,18-20H2,(H3,33,34)(H3,35,36)
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61n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13893
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES COc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)C
Show InChI InChI=1S/C28H31N5O2/c1-33(2,3)22-13-11-19(12-14-22)17-31-28(34)25-16-23-24(9-6-10-26(23)35-4)32(25)18-20-7-5-8-21(15-20)27(29)30/h5-16H,17-18H2,1-4H3,(H3-,29,30,31,34)/p+1
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62n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13895
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H28FN5O/c1-33(2,3)23-10-7-18(8-11-23)16-31-27(34)25-15-21-14-22(28)9-12-24(21)32(25)17-19-5-4-6-20(13-19)26(29)30/h4-15H,16-17H2,1-3H3,(H3-,29,30,31,34)/p+1
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66n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50126570
PNG
(2-[3-(4-Carbamimidoyl-phenyl)-ureido]-N-[(S)-1-(2,...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(cc1)C(N)=N)c1ccc2OCCOc2c1
Show InChI InChI=1S/C20H23N5O4/c1-12(14-4-7-16-17(10-14)29-9-8-28-16)24-18(26)11-23-20(27)25-15-5-2-13(3-6-15)19(21)22/h2-7,10,12H,8-9,11H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t12-/m0/s1
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67n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)


Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13840
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(nap...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc3ccccc23)c1
Show InChI InChI=1S/C28H24N4O2/c29-27(30)20-9-3-6-18(14-20)17-32-24-12-5-13-26(33)23(24)15-25(32)28(34)31-16-21-10-4-8-19-7-1-2-11-22(19)21/h1-15,33H,16-17H2,(H3,29,30)(H,31,34)
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68n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13890
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(CC#C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C29H28FN5O/c1-4-14-35(2,3)25-11-8-20(9-12-25)18-33-29(36)27-17-23-16-24(30)10-13-26(23)34(27)19-21-6-5-7-22(15-21)28(31)32/h1,5-13,15-17H,14,18-19H2,2-3H3,(H3-,31,32,33,36)/p+1
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76n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13867
PNG
(3-amidinobenzylindole carboxamide 51 | N,1-bis[(3-...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N6O2/c26-23(27)17-5-1-3-15(9-17)13-30-25(33)22-12-19-11-20(32)7-8-21(19)31(22)14-16-4-2-6-18(10-16)24(28)29/h1-12,32H,13-14H2,(H3,26,27)(H3,28,29)(H,30,33)
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77n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13894
PNG
(2,2,2-trifluoroacetate; 4-({[5-(benzyloxy)-1-[(3-c...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C34H35N5O2/c1-39(2,3)29-14-12-24(13-15-29)21-37-34(40)32-20-28-19-30(41-23-25-8-5-4-6-9-25)16-17-31(28)38(32)22-26-10-7-11-27(18-26)33(35)36/h4-20H,21-23H2,1-3H3,(H3-,35,36,37,40)/p+1
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82n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X


(Homo sapiens (Human))
BDBM13865
PNG
(3-amidinobenzylindole carboxamide 49 | 5-amino-N,1...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H25N7O/c26-20-7-8-21-19(11-20)12-22(32(21)14-16-4-2-6-18(10-16)24(29)30)25(33)31-13-15-3-1-5-17(9-15)23(27)28/h1-12H,13-14,26H2,(H3,27,28)(H3,29,30)(H,31,33)
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84n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease factor Xa (fXa) was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13819
PNG
(3-amidinobenzylindole carboxamide 3 | 3-bromo-1-[(...)
Show SMILES NC(=N)c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3)c(Br)c3ccccc23)c1
Show InChI InChI=1S/C24H19BrCl2N4O/c25-21-19-6-1-2-7-20(19)31(13-14-4-3-5-16(8-14)23(28)29)22(21)24(32)30-12-15-9-17(26)11-18(27)10-15/h1-11H,12-13H2,(H3,28,29)(H,30,32)
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85 -40.4n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13891
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H29N5O/c1-32(2,3)23-13-11-19(12-14-23)17-30-27(33)25-16-21-8-4-5-10-24(21)31(25)18-20-7-6-9-22(15-20)26(28)29/h4-16H,17-18H2,1-3H3,(H3-,28,29,30,33)/p+1
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90n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13834
PNG
(2,2,2-trifluoroacetate; 4-[(1S)-1-({1-[(3-carbamim...)
Show SMILES C[C@H](NC(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N)c1cc[n+](C)cc1 |r|
Show InChI InChI=1S/C25H25N5O/c1-17(19-10-12-29(2)13-11-19)28-25(31)23-15-20-7-3-4-9-22(20)30(23)16-18-6-5-8-21(14-18)24(26)27/h3-15,17H,16H2,1-2H3,(H3-,26,27,28,31)/p+1/t17-/m0/s1
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92n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13839
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-(naph...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cccc2ccccc12
Show InChI InChI=1S/C29H26N4O/c1-19-7-4-14-26-25(19)16-27(33(26)18-20-8-5-11-22(15-20)28(30)31)29(34)32-17-23-12-6-10-21-9-2-3-13-24(21)23/h2-16H,17-18H2,1H3,(H3,30,31)(H,32,34)
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96n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13850
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(2,...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(Cl)cc(Cl)c2Cl)c1
Show InChI InChI=1S/C24H19Cl3N4O2/c25-16-8-15(22(27)18(26)9-16)11-30-24(33)20-10-17-19(5-2-6-21(17)32)31(20)12-13-3-1-4-14(7-13)23(28)29/h1-10,32H,11-12H2,(H3,28,29)(H,30,33)
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99n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13856
PNG
(3-amidinobenzylindole carboxamide 40 | N-{[3,5-bis...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show InChI InChI=1S/C26H20F6N4O2/c27-25(28,29)17-8-15(9-18(10-17)26(30,31)32)12-35-24(38)21-11-19-20(5-2-6-22(19)37)36(21)13-14-3-1-4-16(7-14)23(33)34/h1-11,37H,12-13H2,(H3,33,34)(H,35,38)
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99n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13832
PNG
(2,2,2-trifluoroacetate; 4-[({5-amino-1-[(3-carbami...)
Show SMILES C[n+]1ccc(CNC(=O)c2cc3cc(N)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C24H24N6O/c1-29-9-7-16(8-10-29)14-28-24(31)22-13-19-12-20(25)5-6-21(19)30(22)15-17-3-2-4-18(11-17)23(26)27/h2-13H,14-15,25H2,1H3,(H3-,26,27,28,31)/p+1
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100n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13888
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES CC[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C28H30FN5O/c1-4-34(2,3)24-11-8-19(9-12-24)17-32-28(35)26-16-22-15-23(29)10-13-25(22)33(26)18-20-6-5-7-21(14-20)27(30)31/h5-16H,4,17-18H2,1-3H3,(H3-,30,31,32,35)/p+1
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103n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13833
PNG
(2,2,2-trifluoroacetate; 4-{4-[({1-[(3-carbamimidoy...)
Show SMILES COc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)-c1cc[n+](C)cc1
Show InChI InChI=1S/C31H29N5O2/c1-35-15-13-24(14-16-35)23-11-9-21(10-12-23)19-34-31(37)28-18-26-27(7-4-8-29(26)38-2)36(28)20-22-5-3-6-25(17-22)30(32)33/h3-18H,19-20H2,1-2H3,(H3-,32,33,34,37)/p+1
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110n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13870
PNG
(3-amidinobenzylindole carboxamide 55 | N-[(3-bromo...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(Br)c2)c1
Show InChI InChI=1S/C24H21BrN4O2/c25-18-7-2-4-15(11-18)13-28-24(31)21-12-19-20(8-3-9-22(19)30)29(21)14-16-5-1-6-17(10-16)23(26)27/h1-12,30H,13-14H2,(H3,26,27)(H,28,31)
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117n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50126574
PNG
(CHEMBL35813 | N-[(S)-1-(3-Bromo-phenyl)-ethyl]-2-[...)
Show SMILES C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=N)c(F)c1)c1cccc(Br)c1
Show InChI InChI=1S/C18H19BrFN5O2/c1-10(11-3-2-4-12(19)7-11)24-16(26)9-23-18(27)25-13-5-6-14(17(21)22)15(20)8-13/h2-8,10H,9H2,1H3,(H3,21,22)(H,24,26)(H2,23,25,27)/t10-/m0/s1
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PubMed
120n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against coagulation factor VII (fVIIa)


Bioorg Med Chem Lett 13: 1463-7 (2003)


BindingDB Entry DOI: 10.7270/Q2Q52P1B
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13881
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-...)
Show SMILES Cc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N4O2/c1-16-5-2-6-17(11-16)14-28-25(31)22-13-20-21(9-4-10-23(20)30)29(22)15-18-7-3-8-19(12-18)24(26)27/h2-13,30H,14-15H2,1H3,(H3,26,27)(H,28,31)
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131n/an/an/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory activity against serine protease factor Xa (fXa) was determined


Bioorg Med Chem Lett 11: 227-30 (2001)


BindingDB Entry DOI: 10.7270/Q2KD1X68
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM13881
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-...)
Show SMILES Cc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N4O2/c1-16-5-2-6-17(11-16)14-28-25(31)22-13-20-21(9-4-10-23(20)30)29(22)15-18-7-3-8-19(12-18)24(26)27/h2-13,30H,14-15H2,1H3,(H3,26,27)(H,28,31)
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131n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrates S-2765. The hydrolysis rates of chromogenic s...


J Med Chem 45: 2749-69 (2002)


BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
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