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4 similar compounds to monomer 50093061

Compile data set for download or QSAR
Wt: 611.7
BDBM50076947
Wt: 699.8
BDBM50093056
Wt: 649.8
BDBM50093062
Wt: 683.8
BDBM50093063

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50076947,50093056,50093062,50093063   
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
Plasminogen


(Homo sapiens (Human))
BDBM50093056
PNG
((S)-N-Benzo[1,3]dioxol-5-ylmethyl-4-cyclohexyl-3-{...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccc2OCOc2c1)C(=O)[C@@H](CCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H45N7O8S/c1-40(32(44)25(14-15-36-33(34)35)39-49(45,46)20-23-10-6-3-7-11-23)19-29(41)38-26(16-22-8-4-2-5-9-22)30(42)31(43)37-18-24-12-13-27-28(17-24)48-21-47-27/h3,6-7,10-13,17,22,25-26,39H,2,4-5,8-9,14-16,18-21H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t25-,26+/m1/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against plasmin


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093056
PNG
((S)-N-Benzo[1,3]dioxol-5-ylmethyl-4-cyclohexyl-3-{...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccc2OCOc2c1)C(=O)[C@@H](CCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H45N7O8S/c1-40(32(44)25(14-15-36-33(34)35)39-49(45,46)20-23-10-6-3-7-11-23)19-29(41)38-26(16-22-8-4-2-5-9-22)30(42)31(43)37-18-24-12-13-27-28(17-24)48-21-47-27/h3,6-7,10-13,17,22,25-26,39H,2,4-5,8-9,14-16,18-21H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t25-,26+/m1/s1
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n/an/a 0.780n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093056
PNG
((S)-N-Benzo[1,3]dioxol-5-ylmethyl-4-cyclohexyl-3-{...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccc2OCOc2c1)C(=O)[C@@H](CCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H45N7O8S/c1-40(32(44)25(14-15-36-33(34)35)39-49(45,46)20-23-10-6-3-7-11-23)19-29(41)38-26(16-22-8-4-2-5-9-22)30(42)31(43)37-18-24-12-13-27-28(17-24)48-21-47-27/h3,6-7,10-13,17,22,25-26,39H,2,4-5,8-9,14-16,18-21H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t25-,26+/m1/s1
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n/an/a 1.72E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against Thrombin (FIIa)


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093062
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CCCCCNC(=O)C(=O)[C@H](CC1CCCCC1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C31H51N7O6S/c1-3-4-11-18-34-29(41)28(40)26(20-23-13-7-5-8-14-23)36-27(39)21-38(2)30(42)25(17-12-19-35-31(32)33)37-45(43,44)22-24-15-9-6-10-16-24/h6,9-10,15-16,23,25-26,37H,3-5,7-8,11-14,17-22H2,1-2H3,(H,34,41)(H,36,39)(H4,32,33,35)/t25-,26+/m1/s1
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n/an/a 163n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against Human trypsin


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093063
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49N7O6S/c1-41(33(45)28(18-11-20-38-34(35)36)40-48(46,47)24-27-16-9-4-10-17-27)23-30(42)39-29(22-26-14-7-3-8-15-26)31(43)32(44)37-21-19-25-12-5-2-6-13-25/h2,4-6,9-10,12-13,16-17,26,28-29,40H,3,7-8,11,14-15,18-24H2,1H3,(H,37,44)(H,39,42)(H4,35,36,38)/t28-,29+/m1/s1
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n/an/a 2.21E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against Thrombin (FIIa)


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50093062
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CCCCCNC(=O)C(=O)[C@H](CC1CCCCC1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C31H51N7O6S/c1-3-4-11-18-34-29(41)28(40)26(20-23-13-7-5-8-14-23)36-27(39)21-38(2)30(42)25(17-12-19-35-31(32)33)37-45(43,44)22-24-15-9-6-10-16-24/h6,9-10,15-16,23,25-26,37H,3-5,7-8,11-14,17-22H2,1-2H3,(H,34,41)(H,36,39)(H4,32,33,35)/t25-,26+/m1/s1
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n/an/a 3.83E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against Thrombin (FIIa)


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093056
PNG
((S)-N-Benzo[1,3]dioxol-5-ylmethyl-4-cyclohexyl-3-{...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccc2OCOc2c1)C(=O)[C@@H](CCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H45N7O8S/c1-40(32(44)25(14-15-36-33(34)35)39-49(45,46)20-23-10-6-3-7-11-23)19-29(41)38-26(16-22-8-4-2-5-9-22)30(42)31(43)37-18-24-12-13-27-28(17-24)48-21-47-27/h3,6-7,10-13,17,22,25-26,39H,2,4-5,8-9,14-16,18-21H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t25-,26+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093056
PNG
((S)-N-Benzo[1,3]dioxol-5-ylmethyl-4-cyclohexyl-3-{...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccc2OCOc2c1)C(=O)[C@@H](CCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H45N7O8S/c1-40(32(44)25(14-15-36-33(34)35)39-49(45,46)20-23-10-6-3-7-11-23)19-29(41)38-26(16-22-8-4-2-5-9-22)30(42)31(43)37-18-24-12-13-27-28(17-24)48-21-47-27/h3,6-7,10-13,17,22,25-26,39H,2,4-5,8-9,14-16,18-21H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t25-,26+/m1/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against Human trypsin


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093062
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CCCCCNC(=O)C(=O)[C@H](CC1CCCCC1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C31H51N7O6S/c1-3-4-11-18-34-29(41)28(40)26(20-23-13-7-5-8-14-23)36-27(39)21-38(2)30(42)25(17-12-19-35-31(32)33)37-45(43,44)22-24-15-9-6-10-16-24/h6,9-10,15-16,23,25-26,37H,3-5,7-8,11-14,17-22H2,1-2H3,(H,34,41)(H,36,39)(H4,32,33,35)/t25-,26+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50093062
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CCCCCNC(=O)C(=O)[C@H](CC1CCCCC1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C31H51N7O6S/c1-3-4-11-18-34-29(41)28(40)26(20-23-13-7-5-8-14-23)36-27(39)21-38(2)30(42)25(17-12-19-35-31(32)33)37-45(43,44)22-24-15-9-6-10-16-24/h6,9-10,15-16,23,25-26,37H,3-5,7-8,11-14,17-22H2,1-2H3,(H,34,41)(H,36,39)(H4,32,33,35)/t25-,26+/m1/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against plasmin


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50093063
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49N7O6S/c1-41(33(45)28(18-11-20-38-34(35)36)40-48(46,47)24-27-16-9-4-10-17-27)23-30(42)39-29(22-26-14-7-3-8-15-26)31(43)32(44)37-21-19-25-12-5-2-6-13-25/h2,4-6,9-10,12-13,16-17,26,28-29,40H,3,7-8,11,14-15,18-24H2,1H3,(H,37,44)(H,39,42)(H4,35,36,38)/t28-,29+/m1/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against Human trypsin


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50076947
PNG
((S)-N-Benzyl-2-oxo-3-[2-(2-oxo-3-phenylmethanesulf...)
Show SMILES O=C(CN1CCCCC(NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H41N5O6S/c37-28(21-36-18-8-7-13-26(31(36)40)35-43(41,42)22-25-11-5-2-6-12-25)34-27(19-23-14-16-32-17-15-23)29(38)30(39)33-20-24-9-3-1-4-10-24/h1-6,9-12,23,26-27,32,35H,7-8,13-22H2,(H,33,39)(H,34,37)/t26?,27-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X with respect to Argatroban


Bioorg Med Chem Lett 9: 1227-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00179-1
BindingDB Entry DOI: 10.7270/Q2XW4K9J
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50076947
PNG
((S)-N-Benzyl-2-oxo-3-[2-(2-oxo-3-phenylmethanesulf...)
Show SMILES O=C(CN1CCCCC(NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C31H41N5O6S/c37-28(21-36-18-8-7-13-26(31(36)40)35-43(41,42)22-25-11-5-2-6-12-25)34-27(19-23-14-16-32-17-15-23)29(38)30(39)33-20-24-9-3-1-4-10-24/h1-6,9-12,23,26-27,32,35H,7-8,13-22H2,(H,33,39)(H,34,37)/t26?,27-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against thrombin with respect to Argatroban


Bioorg Med Chem Lett 9: 1227-32 (1999)


Article DOI: 10.1016/s0960-894x(99)00179-1
BindingDB Entry DOI: 10.7270/Q2XW4K9J
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50093063
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49N7O6S/c1-41(33(45)28(18-11-20-38-34(35)36)40-48(46,47)24-27-16-9-4-10-17-27)23-30(42)39-29(22-26-14-7-3-8-15-26)31(43)32(44)37-21-19-25-12-5-2-6-13-25/h2,4-6,9-10,12-13,16-17,26,28-29,40H,3,7-8,11,14-15,18-24H2,1H3,(H,37,44)(H,39,42)(H4,35,36,38)/t28-,29+/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 10: 2305-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00458-3
BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair