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PubMed code 12061878

Compile data set for download or QSAR
Found 100 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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
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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13868
PNG
(3-amidinobenzylindole carboxamide 52 | 5-(benzylox...)
Show SMILES NC(=N)c1cccc(CNC(=O)c2cc3cc(OCc4ccccc4)ccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C32H30N6O2/c33-30(34)24-10-4-8-22(14-24)18-37-32(39)29-17-26-16-27(40-20-21-6-2-1-3-7-21)12-13-28(26)38(29)19-23-9-5-11-25(15-23)31(35)36/h1-17H,18-20H2,(H3,33,34)(H3,35,36)(H,37,39)
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133n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13896
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H28ClN5O/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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140n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13889
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/C29H30FN5O/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/h4-13,15-17H,1,14,18-19H2,2-3H3,(H3-,31,32,33,36)/p+1
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141n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13899
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(ccc3n2Cc2cccc(c2)C(N)=N)[N+]([O-])=O)cc1
Show InChI InChI=1S/C27H28N6O3/c1-33(2,3)23-10-7-18(8-11-23)16-30-27(34)25-15-21-14-22(32(35)36)9-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H3-,28,29,30,34)/p+1
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144n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13831
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C24H23N5O/c1-28-11-9-17(10-12-28)15-27-24(30)22-14-19-6-2-3-8-21(19)29(22)16-18-5-4-7-20(13-18)23(25)26/h2-14H,15-16H2,1H3,(H3-,25,26,27,30)/p+1
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150n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13828
PNG
(2,2,2-trifluoroacetate; 4-[1-({1-[(3-carbamimidoyl...)
Show SMILES COc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NC(C)c1cc[n+](C)cc1
Show InChI InChI=1S/C26H27N5O2/c1-17(19-10-12-30(2)13-11-19)29-26(32)23-15-21-22(8-5-9-24(21)33-3)31(23)16-18-6-4-7-20(14-18)25(27)28/h4-15,17H,16H2,1-3H3,(H3-,27,28,29,32)/p+1
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160 -38.8n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13823
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES Cc1c(C(=O)NCc2cc[n+](C)cc2)n(Cc2cccc(c2)C(N)=N)c2ccccc12
Show InChI InChI=1S/C25H25N5O/c1-17-21-8-3-4-9-22(21)30(16-19-6-5-7-20(14-19)24(26)27)23(17)25(31)28-15-18-10-12-29(2)13-11-18/h3-14H,15-16H2,1-2H3,(H3-,26,27,28,31)/p+1
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170 -38.6n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13817
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES COC(=O)CN(Cc1cc[n+](C)cc1)C(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C27H28N5O3/c1-30-12-10-19(11-13-30)16-31(18-25(33)35-2)27(34)24-15-21-7-3-4-9-23(21)32(24)17-20-6-5-8-22(14-20)26(28)29/h3-15H,16-18H2,1-2H3,(H3,28,29)/q+1
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170 -38.6n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13871
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-{[3-(carbamoyl...)
Show SMILES NC(=O)Nc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N6O3/c26-23(27)17-6-1-5-16(10-17)14-31-20-8-3-9-22(32)19(20)12-21(31)24(33)29-13-15-4-2-7-18(11-15)30-25(28)34/h1-12,32H,13-14H2,(H3,26,27)(H,29,33)(H3,28,30,34)
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180n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13859
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-difluoro...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cc(F)cc(F)c2)c1
Show InChI InChI=1S/C24H20F2N4O2/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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191n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13860
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3,5-dimethox...)
Show SMILES COc1cc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)cc(OC)c1
Show InChI InChI=1S/C26H26N4O4/c1-33-19-10-17(11-20(12-19)34-2)14-29-26(32)23-13-21-22(7-4-8-24(21)31)30(23)15-16-5-3-6-18(9-16)25(27)28/h3-13,31H,14-15H2,1-2H3,(H3,27,28)(H,29,32)
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193n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13872
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3-carbamoylp...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3ccccc23)C(=O)NCc2cccc(c2)C(N)=O)c1
Show InChI InChI=1S/C25H23N5O2/c26-23(27)19-8-4-6-17(12-19)15-30-21-10-2-1-7-18(21)13-22(30)25(32)29-14-16-5-3-9-20(11-16)24(28)31/h1-13H,14-15H2,(H3,26,27)(H2,28,31)(H,29,32)
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240n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13884
PNG
(2,2,2-trifluoroacetate; N-benzyl-4-[({1-[(3-carbam...)
Show SMILES Cc1c(F)ccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1ccc(cc1)[N+](C)(C)Cc1ccccc1
Show InChI InChI=1S/C34H34FN5O/c1-23-29-19-32(39(31(29)17-16-30(23)35)21-26-10-7-11-27(18-26)33(36)37)34(41)38-20-24-12-14-28(15-13-24)40(2,3)22-25-8-5-4-6-9-25/h4-19H,20-22H2,1-3H3,(H3-,36,37,38,41)/p+1
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245n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13873
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3-chlorophen...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C24H21ClN4O2/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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262n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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270n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13824
PNG
(1-[(3-carbamimidoylphenyl)methyl]-3-chloro-N-(naph...)
Show SMILES NC(=N)c1cccc(Cn2c(C(=O)NCc3cccc4ccccc34)c(Cl)c3ccccc23)c1
Show InChI InChI=1S/C28H23ClN4O/c29-25-23-13-3-4-14-24(23)33(17-18-7-5-10-20(15-18)27(30)31)26(25)28(34)32-16-21-11-6-9-19-8-1-2-12-22(19)21/h1-15H,16-17H2,(H3,30,31)(H,32,34)
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304 -37.2n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13878
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[(3-...)
Show SMILES COc1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C25H24N4O3/c1-32-19-8-3-5-16(12-19)14-28-25(31)22-13-20-21(9-4-10-23(20)30)29(22)15-17-6-2-7-18(11-17)24(26)27/h2-13,30H,14-15H2,1H3,(H3,26,27)(H,28,31)
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308n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13849
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-[2-(...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCNc2cccc3ccccc23)c1
Show InChI InChI=1S/C29H27N5O2/c30-28(31)21-9-3-6-19(16-21)18-34-25-12-5-13-27(35)23(25)17-26(34)29(36)33-15-14-32-24-11-4-8-20-7-1-2-10-22(20)24/h1-13,16-17,32,35H,14-15,18H2,(H3,30,31)(H,33,36)
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318n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13827
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES COC(=O)c1c(C(=O)NCc2cc[n+](C)cc2)n(Cc2cccc(c2)C(N)=N)c2ccccc12
Show InChI InChI=1S/C26H25N5O3/c1-30-12-10-17(11-13-30)15-29-25(32)23-22(26(33)34-2)20-8-3-4-9-21(20)31(23)16-18-6-5-7-19(14-18)24(27)28/h3-14H,15-16H2,1-2H3,(H3-,27,28,29,32)/p+1
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350 -36.8n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13830
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[n+]1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C24H22FN5O/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,14-15H2,1H3,(H3-,26,27,28,31)/p+1
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360 -36.8n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13883
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-{[3-...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C25H21F3N4O2/c26-25(27,28)18-7-2-4-15(11-18)13-31-24(34)21-12-19-20(8-3-9-22(19)33)32(21)14-16-5-1-6-17(10-16)23(29)30/h1-12,33H,13-14H2,(H3,29,30)(H,31,34)
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476n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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480n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13818
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES CCN(Cc1cc[n+](C)cc1)C(=O)c1cc2ccccc2n1Cc1cccc(c1)C(N)=N
Show InChI InChI=1S/C26H28N5O/c1-3-30(17-19-11-13-29(2)14-12-19)26(32)24-16-21-8-4-5-10-23(21)31(24)18-20-7-6-9-22(15-20)25(27)28/h4-16H,3,17-18H2,1-2H3,(H3,27,28)/q+1
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500 -36.0n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13829
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(4-carbamimidoylph...)
Show SMILES C[n+]1ccc(CNC(=O)c2cc3ccccc3n2Cc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C24H23N5O/c1-28-12-10-17(11-13-28)15-27-24(30)22-14-20-4-2-3-5-21(20)29(22)16-18-6-8-19(9-7-18)23(25)26/h2-14H,15-16H2,1H3,(H3-,25,26,27,30)/p+1
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600 -35.5n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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620n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13843
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[2-(3-chloroph...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C25H23ClN4O2/c26-19-7-2-4-16(13-19)10-11-29-25(32)22-14-20-21(8-3-9-23(20)31)30(22)15-17-5-1-6-18(12-17)24(27)28/h1-9,12-14,31H,10-11,15H2,(H3,27,28)(H,29,32)
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707n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13875
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3-fluorophen...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(F)c2)c1
Show InChI InChI=1S/C24H21FN4O2/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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720n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13858
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-(3,5-dichlorop...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)Nc2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C23H18Cl2N4O2/c24-15-8-16(25)10-17(9-15)28-23(31)20-11-18-19(5-2-6-21(18)30)29(20)12-13-3-1-4-14(7-13)22(26)27/h1-11,30H,12H2,(H3,26,27)(H,28,31)
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798n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13851
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[2-(2,4-dichlo...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C25H22Cl2N4O2/c26-18-8-7-16(20(27)12-18)9-10-30-25(33)22-13-19-21(5-2-6-23(19)32)31(22)14-15-3-1-4-17(11-15)24(28)29/h1-8,11-13,32H,9-10,14H2,(H3,28,29)(H,30,33)
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840n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13854
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3,4-dichloro...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H20Cl2N4O2/c25-18-8-7-14(10-19(18)26)12-29-24(32)21-11-17-20(5-2-6-22(17)31)30(21)13-15-3-1-4-16(9-15)23(27)28/h1-11,31H,12-13H2,(H3,27,28)(H,29,32)
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841n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13842
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[2-(3,4-dichlo...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C25H22Cl2N4O2/c26-19-8-7-15(12-20(19)27)9-10-30-25(33)22-13-18-21(5-2-6-23(18)32)31(22)14-16-3-1-4-17(11-16)24(28)29/h1-8,11-13,32H,9-10,14H2,(H3,28,29)(H,30,33)
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918n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13846
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[2-(4-hydroxyp...)
Show SMILES COc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCCc1ccc(O)cc1
Show InChI InChI=1S/C26H26N4O3/c1-33-24-7-3-6-22-21(24)15-23(26(32)29-13-12-17-8-10-20(31)11-9-17)30(22)16-18-4-2-5-19(14-18)25(27)28/h2-11,14-15,31H,12-13,16H2,1H3,(H3,27,28)(H,29,32)
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970n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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1.18E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13852
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(2-chlorophen...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2ccccc2Cl)c1
Show InChI InChI=1S/C24H21ClN4O2/c25-19-8-2-1-6-17(19)13-28-24(31)21-12-18-20(9-4-10-22(18)30)29(21)14-15-5-3-7-16(11-15)23(26)27/h1-12,30H,13-14H2,(H3,26,27)(H,28,31)
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1.20E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13848
PNG
(2,2,2-trifluoroacetate; 4-[2-({1-[(3-carbamimidoyl...)
Show SMILES C[n+]1ccc(CCNC(=O)c2cc3ccccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C25H25N5O/c1-29-13-10-18(11-14-29)9-12-28-25(31)23-16-20-6-2-3-8-22(20)30(23)17-19-5-4-7-21(15-19)24(26)27/h2-8,10-11,13-16H,9,12,17H2,1H3,(H3-,26,27,28,31)/p+1
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1.30E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13886
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-{[4-(dimethyla...)
Show SMILES CN(C)c1ccc(CNC(=O)c2cc3c(C)cccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H29N5O/c1-18-6-4-9-24-23(18)15-25(32(24)17-20-7-5-8-21(14-20)26(28)29)27(33)30-16-19-10-12-22(13-11-19)31(2)3/h4-15H,16-17H2,1-3H3,(H3,28,29)(H,30,33)
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1.31E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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1.42E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13845
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[2-(4-chloroph...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H23ClN4O2/c26-19-9-7-16(8-10-19)11-12-29-25(32)22-14-20-21(5-2-6-23(20)31)30(22)15-17-3-1-4-18(13-17)24(27)28/h1-10,13-14,31H,11-12,15H2,(H3,27,28)(H,29,32)
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1.56E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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1.61E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13844
PNG
(3-amidinobenzylindole carboxamide 28 | N-[2-(4-bro...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCCc2ccc(Br)cc2)c1
Show InChI InChI=1S/C25H23BrN4O2/c26-19-9-7-16(8-10-19)11-12-29-25(32)22-14-20-21(5-2-6-23(20)31)30(22)15-17-3-1-4-18(13-17)24(27)28/h1-10,13-14,31H,11-12,15H2,(H3,27,28)(H,29,32)
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1.63E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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1.71E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13853
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-(nap...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2ccc3ccccc3c2)c1
Show InChI InChI=1S/C28H24N4O2/c29-27(30)22-8-3-5-19(14-22)17-32-24-9-4-10-26(33)23(24)15-25(32)28(34)31-16-18-11-12-20-6-1-2-7-21(20)13-18/h1-15,33H,16-17H2,(H3,29,30)(H,31,34)
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1.72E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13892
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES COc1ccc2cc(C(=O)NCc3ccc(cc3)[N+](C)(C)C)n(Cc3cccc(c3)C(N)=N)c2c1
Show InChI InChI=1S/C28H31N5O2/c1-33(2,3)23-11-8-19(9-12-23)17-31-28(34)26-15-21-10-13-24(35-4)16-25(21)32(26)18-20-6-5-7-22(14-20)27(29)30/h5-16H,17-18H2,1-4H3,(H3-,29,30,31,34)/p+1
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1.76E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13879
PNG
(3-amidinobenzylindole carboxamide 64 | methyl 3-[(...)
Show SMILES COC(=O)c1cccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)c1
Show InChI InChI=1S/C26H24N4O4/c1-34-26(33)19-8-2-5-16(11-19)14-29-25(32)22-13-20-21(9-4-10-23(20)31)30(22)15-17-6-3-7-18(12-17)24(27)28/h2-13,31H,14-15H2,1H3,(H3,27,28)(H,29,32)
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2.04E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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2.07E+3 -32.4n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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2.39E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13847
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-N-{2-[...)
Show SMILES CN(CCNC(=O)c1cc2c(O)cccc2n1Cc1cccc(c1)C(N)=N)c1cccc2ccccc12
Show InChI InChI=1S/C30H29N5O2/c1-34(25-12-5-9-21-8-2-3-11-23(21)25)16-15-33-30(37)27-18-24-26(13-6-14-28(24)36)35(27)19-20-7-4-10-22(17-20)29(31)32/h2-14,17-18,36H,15-16,19H2,1H3,(H3,31,32)(H,33,37)
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2.47E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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3.29E+3 -31.3n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13887
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-{[4-(dimethyla...)
Show SMILES CN(C)c1ccc(CNC(=O)c2cc3cc(F)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C26H26FN5O/c1-31(2)22-9-6-17(7-10-22)15-30-26(33)24-14-20-13-21(27)8-11-23(20)32(24)16-18-4-3-5-19(12-18)25(28)29/h3-14H,15-16H2,1-2H3,(H3,28,29)(H,30,33)
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3.52E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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3.60E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13836
PNG
(2,2,2-trifluoroacetic acid; 5-(benzyloxy)-1-[(3-ca...)
Show SMILES C[C@H](NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(c1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C32H30N4O2/c1-22(25-12-6-3-7-13-25)35-32(37)30-19-27-18-28(38-21-23-9-4-2-5-10-23)15-16-29(27)36(30)20-24-11-8-14-26(17-24)31(33)34/h2-19,22H,20-21H2,1H3,(H3,33,34)(H,35,37)/t22-/m0/s1
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3.69E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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3.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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4.24E+3 -30.7n/an/an/an/an/a7.825



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13835
PNG
(2,2,2-trifluoroacetic acid; 5-(benzyloxy)-1-[(3-ca...)
Show SMILES C[C@H](NC(=O)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(c1)C(N)=S)c1ccccc1
Show InChI InChI=1S/C32H29N3O2S/c1-22(25-12-6-3-7-13-25)34-32(36)30-19-27-18-28(37-21-23-9-4-2-5-10-23)15-16-29(27)35(30)20-24-11-8-14-26(17-24)31(33)38/h2-19,22H,20-21H2,1H3,(H2,33,38)(H,34,36)/t22-/m0/s1
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4.83E+3n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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9.90E+3n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13876
PNG
(3-[({1-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1...)
Show SMILES NC(=N)c1cccc(Cn2c(cc3c(O)cccc23)C(=O)NCc2cccc(c2)C(O)=O)c1
Show InChI InChI=1S/C25H22N4O4/c26-23(27)17-6-2-5-16(11-17)14-29-20-8-3-9-22(30)19(20)12-21(29)24(31)28-13-15-4-1-7-18(10-15)25(32)33/h1-12,30H,13-14H2,(H3,26,27)(H,28,31)(H,32,33)
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1.00E+4n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13882
PNG
(1-[(3-carbamimidoylphenyl)methyl]-4-methyl-N-[(3-n...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H23N5O3/c1-16-5-2-10-22-21(16)13-23(29(22)15-18-7-3-8-19(11-18)24(26)27)25(31)28-14-17-6-4-9-20(12-17)30(32)33/h2-13H,14-15H2,1H3,(H3,26,27)(H,28,31)
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1.00E+4n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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1.19E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13841
PNG
(2,2,2-trifluoroacetic acid; 4-[({1-[(3-carbamimido...)
Show SMILES Cc1cccc2n(Cc3cccc(c3)C(N)=N)c(cc12)C(=O)NCc1cc[n+]([O-])cc1
Show InChI InChI=1S/C24H23N5O2/c1-16-4-2-7-21-20(16)13-22(24(30)27-14-17-8-10-28(31)11-9-17)29(21)15-18-5-3-6-19(12-18)23(25)26/h2-13H,14-15H2,1H3,(H3,25,26)(H,27,30)
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1.45E+4n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM13896
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(Cl)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H28ClN5O/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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1.58E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM13855
PNG
(1-[(3-carbamimidoylphenyl)methyl]-N-[(3,4-dimethox...)
Show SMILES COc1ccc(CNC(=O)c2cc3c(O)cccc3n2Cc2cccc(c2)C(N)=N)cc1OC
Show InChI InChI=1S/C26H26N4O4/c1-33-23-10-9-16(12-24(23)34-2)14-29-26(32)21-13-19-20(7-4-8-22(19)31)30(21)15-17-5-3-6-18(11-17)25(27)28/h3-13,31H,14-15H2,1-2H3,(H3,27,28)(H,29,32)
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1.74E+4n/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)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
Prothrombin


(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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5.70E+4n/an/an/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH



Assay Description
The inhibitory effect of test compound for human thrombin was determined by using the chromogenic substrates S-2366. The hydrolysis rates of chromoge...


J Med Chem 45: 2749-69 (2002)


Article DOI: 10.1021/jm0111346
BindingDB Entry DOI: 10.7270/Q27H1GTW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%