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27 molecules are shown

Wt: 465.3
BDBM12402
Wt: 489.4
BDBM13820
Wt: 517.4
BDBM13821
Wt: 503.3
BDBM13822
Wt: 458.9
BDBM13825
Wt: 446.5
BDBM13839
Wt: 534.4
BDBM13856
Wt: 424.5
BDBM13861
Wt: 426.5
BDBM13862
Wt: 438.5
BDBM13863
Wt: 439.5
BDBM13865
Wt: 440.4
BDBM13866
Wt: 440.4
BDBM13867
Wt: 530.6
BDBM13868
Wt: 424.4
BDBM13869
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 12402,13820,13821,13822,13825,13839,13856,13861,13862,13863,13865,13866,13867,13868,13869   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)


Article DOI: 10.1021/jm0111346
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)


Article DOI: 10.1016/s0960-894x(00)00631-4
BindingDB Entry DOI: 10.7270/Q2KD1X68
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)


Article DOI: 10.1021/jm0111346
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 -11.0n/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


(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


(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)


Article DOI: 10.1016/s0960-894x(00)00631-4
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)


Article DOI: 10.1021/jm0111346
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 -10.8n/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


(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


(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


(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



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 48: 4511-25 (2005)


Article DOI: 10.1021/jm0490540
BindingDB Entry DOI: 10.7270/Q21834RB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 -10.3n/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


(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 -9.95n/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


(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


(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


(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)


Article DOI: 10.1016/s0960-894x(00)00631-4
BindingDB Entry DOI: 10.7270/Q2KD1X68
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)


Article DOI: 10.1021/jm0111346
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)


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


(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
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
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

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin was determined


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


Article DOI: 10.1016/s0960-894x(00)00631-4
BindingDB Entry DOI: 10.7270/Q2KD1X68
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
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
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
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 -7.75n/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
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 -7.47n/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))
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
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

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin was determined


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


Article DOI: 10.1016/s0960-894x(00)00631-4
BindingDB Entry DOI: 10.7270/Q2KD1X68
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 -7.32n/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))
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