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6 similar compounds to monomer 13894

Compile data set for download or QSAR
Wt: 502.6
BDBM13836
Wt: 440.4
BDBM13867
Wt: 530.6
BDBM13868
Wt: 470.5
BDBM13892
Wt: 470.5
BDBM13893
Wt: 456.5
BDBM13897

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 13836,13867,13868,13892,13893,13897   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


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



Aventis Pharma

Curated by ChEMBL


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


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


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))
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


(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


(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))
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


(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


(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
Thrombin and coagulation factor X


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


(Homo sapiens (Human))
BDBM13897
PNG
(2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylph...)
Show SMILES C[N+](C)(C)c1ccc(CNC(=O)c2cc3cc(O)ccc3n2Cc2cccc(c2)C(N)=N)cc1
Show InChI InChI=1S/C27H29N5O2/c1-32(2,3)22-9-7-18(8-10-22)16-30-27(34)25-15-21-14-23(33)11-12-24(21)31(25)17-19-5-4-6-20(13-19)26(28)29/h4-15H,16-17H2,1-3H3,(H4-,28,29,30,33,34)/p+1
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1.20E+4n/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