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PubMed code 11055344

Compile data set for download or QSAR
Found 37 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


(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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093057
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@H]1CCCC(C1O)C(N)=N)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H38N8O5S/c1-31(13-19(32)29-17-10-5-9-16(20(17)33)21(24)25)22(34)18(11-6-12-28-23(26)27)30-37(35,36)14-15-7-3-2-4-8-15/h2-4,7-8,16-18,20,30,33H,5-6,9-14H2,1H3,(H3,24,25)(H,29,32)(H4,26,27,28)/t16?,17-,18+,20?/m0/s1
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n/an/a 0.860n/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)


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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093066
PNG
(((S)-4-Cyclohexyl-3-{2-[((R)-5-guanidino-2-phenylm...)
Show SMILES CCOC(=O)CNC(=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/C30H47N7O8S/c1-3-45-26(39)18-34-28(41)27(40)24(17-21-11-6-4-7-12-21)35-25(38)19-37(2)29(42)23(15-10-16-33-30(31)32)36-46(43,44)20-22-13-8-5-9-14-22/h5,8-9,13-14,21,23-24,36H,3-4,6-7,10-12,15-20H2,1-2H3,(H,34,41)(H,35,38)(H4,31,32,33)/t23-,24+/m1/s1
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n/an/a 2.10n/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093061
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H47N7O6S/c1-40(32(44)27(18-11-19-36-33(34)35)39-47(45,46)23-26-16-9-4-10-17-26)22-29(41)38-28(20-24-12-5-2-6-13-24)30(42)31(43)37-21-25-14-7-3-8-15-25/h3-4,7-10,14-17,24,27-28,39H,2,5-6,11-13,18-23H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t27-,28+/m1/s1
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n/an/a 3.30n/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093057
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@H]1CCCC(C1O)C(N)=N)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H38N8O5S/c1-31(13-19(32)29-17-10-5-9-16(20(17)33)21(24)25)22(34)18(11-6-12-28-23(26)27)30-37(35,36)14-15-7-3-2-4-8-15/h2-4,7-8,16-18,20,30,33H,5-6,9-14H2,1H3,(H3,24,25)(H,29,32)(H4,26,27,28)/t16?,17-,18+,20?/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against prothrombinase (PTase) complex

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


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093058
PNG
(((S)-3-{2-[((R)-5-Guanidino-2-phenylmethanesulfony...)
Show SMILES CCOC(=O)CNC(=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/C30H41N7O8S/c1-3-45-26(39)18-34-28(41)27(40)24(17-21-11-6-4-7-12-21)35-25(38)19-37(2)29(42)23(15-10-16-33-30(31)32)36-46(43,44)20-22-13-8-5-9-14-22/h4-9,11-14,23-24,36H,3,10,15-20H2,1-2H3,(H,34,41)(H,35,38)(H4,31,32,33)/t23-,24+/m1/s1
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n/an/a 6.60n/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093060
PNG
(CHEMBL432159 | [(S)-3-{2-[((R)-5-Guanidino-2-pheny...)
Show SMILES CCOC(=O)CNC(=O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H41N7O9S/c1-3-46-26(40)17-34-28(42)27(41)24(16-20-11-13-22(38)14-12-20)35-25(39)18-37(2)29(43)23(10-7-15-33-30(31)32)36-47(44,45)19-21-8-5-4-6-9-21/h4-6,8-9,11-14,23-24,36,38H,3,7,10,15-19H2,1-2H3,(H,34,42)(H,35,39)(H4,31,32,33)/t23-,24+/m1/s1
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n/an/a 7.60n/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093065
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCC(=O)NCCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C36H46N8O7S/c1-44(35(49)29(18-11-20-40-36(37)38)43-52(50,51)25-28-16-9-4-10-17-28)24-32(46)42-30(22-27-14-7-3-8-15-27)33(47)34(48)41-23-31(45)39-21-19-26-12-5-2-6-13-26/h2-10,12-17,29-30,43H,11,18-25H2,1H3,(H,39,45)(H,41,48)(H,42,46)(H4,37,38,40)/t29-,30+/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against prothrombinase (PTase) complex

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


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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093058
PNG
(((S)-3-{2-[((R)-5-Guanidino-2-phenylmethanesulfony...)
Show SMILES CCOC(=O)CNC(=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/C30H41N7O8S/c1-3-45-26(39)18-34-28(41)27(40)24(17-21-11-6-4-7-12-21)35-25(38)19-37(2)29(42)23(15-10-16-33-30(31)32)36-46(43,44)20-22-13-8-5-9-14-22/h4-9,11-14,23-24,36H,3,10,15-20H2,1-2H3,(H,34,41)(H,35,38)(H4,31,32,33)/t23-,24+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against prothrombinase (PTase) complex

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


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093065
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCC(=O)NCCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C36H46N8O7S/c1-44(35(49)29(18-11-20-40-36(37)38)43-52(50,51)25-28-16-9-4-10-17-28)24-32(46)42-30(22-27-14-7-3-8-15-27)33(47)34(48)41-23-31(45)39-21-19-26-12-5-2-6-13-26/h2-10,12-17,29-30,43H,11,18-25H2,1H3,(H,39,45)(H,41,48)(H,42,46)(H4,37,38,40)/t29-,30+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against prothrombinase (PTase) complex

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


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093060
PNG
(CHEMBL432159 | [(S)-3-{2-[((R)-5-Guanidino-2-pheny...)
Show SMILES CCOC(=O)CNC(=O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H41N7O9S/c1-3-46-26(40)17-34-28(42)27(41)24(16-20-11-13-22(38)14-12-20)35-25(39)18-37(2)29(43)23(10-7-15-33-30(31)32)36-47(44,45)19-21-8-5-4-6-9-21/h4-6,8-9,11-14,23-24,36,38H,3,7,10,15-19H2,1-2H3,(H,34,42)(H,35,39)(H4,31,32,33)/t23-,24+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for its inhibitory activity against prothrombinase (PTase) complex

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


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093064
PNG
((R)-5-Nitro-Guanidino-2-phenylmethanesulfonylamino...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccc2OCOc2c1)C(=O)[C@@H](CCN=C(N)N[N+]([O-])=O)NS(=O)(=O)Cc1ccccc1 |w:34.36|
Show InChI InChI=1S/C33H44N8O10S/c1-40(32(45)25(14-15-35-33(34)38-41(46)47)39-52(48,49)20-23-10-6-3-7-11-23)19-29(42)37-26(16-22-8-4-2-5-9-22)30(43)31(44)36-18-24-12-13-27-28(17-24)51-21-50-27/h3,6-7,10-13,17,22,25-26,39H,2,4-5,8-9,14-16,18-21H2,1H3,(H,36,44)(H,37,42)(H3,34,35,38)/t25-,26+/m1/s1
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n/an/a 46n/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50093057
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@H]1CCCC(C1O)C(N)=N)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H38N8O5S/c1-31(13-19(32)29-17-10-5-9-16(20(17)33)21(24)25)22(34)18(11-6-12-28-23(26)27)30-37(35,36)14-15-7-3-2-4-8-15/h2-4,7-8,16-18,20,30,33H,5-6,9-14H2,1H3,(H3,24,25)(H,29,32)(H4,26,27,28)/t16?,17-,18+,20?/m0/s1
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n/an/a 75n/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Serine protease 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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))		BDBM50093059
PNG
(((S)-4-(4-tert-Butoxy-phenyl)-3-{2-[((R)-5-guanidi...)
Show SMILES CCOC(=O)CNC(=O)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49N7O9S/c1-6-49-29(43)20-38-31(45)30(44)27(19-23-14-16-25(17-15-23)50-34(2,3)4)39-28(42)21-41(5)32(46)26(13-10-18-37-33(35)36)40-51(47,48)22-24-11-8-7-9-12-24/h7-9,11-12,14-17,26-27,40H,6,10,13,18-22H2,1-5H3,(H,38,45)(H,39,42)(H4,35,36,37)/t26-,27+/m1/s1
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n/an/a 246n/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50093057
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@H]1CCCC(C1O)C(N)=N)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H38N8O5S/c1-31(13-19(32)29-17-10-5-9-16(20(17)33)21(24)25)22(34)18(11-6-12-28-23(26)27)30-37(35,36)14-15-7-3-2-4-8-15/h2-4,7-8,16-18,20,30,33H,5-6,9-14H2,1H3,(H3,24,25)(H,29,32)(H4,26,27,28)/t16?,17-,18+,20?/m0/s1
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n/an/a 1.20E+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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50093061
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H47N7O6S/c1-40(32(44)27(18-11-19-36-33(34)35)39-47(45,46)23-26-16-9-4-10-17-26)22-29(41)38-28(20-24-12-5-2-6-13-24)30(42)31(43)37-21-25-14-7-3-8-15-25/h3-4,7-10,14-17,24,27-28,39H,2,5-6,11-13,18-23H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t27-,28+/m1/s1
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n/an/a 1.96E+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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50093061
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H47N7O6S/c1-40(32(44)27(18-11-19-36-33(34)35)39-47(45,46)23-26-16-9-4-10-17-26)22-29(41)38-28(20-24-12-5-2-6-13-24)30(42)31(43)37-21-25-14-7-3-8-15-25/h3-4,7-10,14-17,24,27-28,39H,2,5-6,11-13,18-23H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t27-,28+/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50093060
PNG
(CHEMBL432159 | [(S)-3-{2-[((R)-5-Guanidino-2-pheny...)
Show SMILES CCOC(=O)CNC(=O)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C30H41N7O9S/c1-3-46-26(40)17-34-28(42)27(41)24(16-20-11-13-22(38)14-12-20)35-25(39)18-37(2)29(43)23(10-7-15-33-30(31)32)36-47(44,45)19-21-8-5-4-6-9-21/h4-6,8-9,11-14,23-24,36,38H,3,7,10,15-19H2,1-2H3,(H,34,42)(H,35,39)(H4,31,32,33)/t23-,24+/m1/s1
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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)


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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50093064
PNG
((R)-5-Nitro-Guanidino-2-phenylmethanesulfonylamino...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccc2OCOc2c1)C(=O)[C@@H](CCN=C(N)N[N+]([O-])=O)NS(=O)(=O)Cc1ccccc1 |w:34.36|
Show InChI InChI=1S/C33H44N8O10S/c1-40(32(45)25(14-15-35-33(34)38-41(46)47)39-52(48,49)20-23-10-6-3-7-11-23)19-29(42)37-26(16-22-8-4-2-5-9-22)30(43)31(44)36-18-24-12-13-27-28(17-24)51-21-50-27/h3,6-7,10-13,17,22,25-26,39H,2,4-5,8-9,14-16,18-21H2,1H3,(H,36,44)(H,37,42)(H3,34,35,38)/t25-,26+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Serine protease 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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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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50093057
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@H]1CCCC(C1O)C(N)=N)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H38N8O5S/c1-31(13-19(32)29-17-10-5-9-16(20(17)33)21(24)25)22(34)18(11-6-12-28-23(26)27)30-37(35,36)14-15-7-3-2-4-8-15/h2-4,7-8,16-18,20,30,33H,5-6,9-14H2,1H3,(H3,24,25)(H,29,32)(H4,26,27,28)/t16?,17-,18+,20?/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50093058
PNG
(((S)-3-{2-[((R)-5-Guanidino-2-phenylmethanesulfony...)
Show SMILES CCOC(=O)CNC(=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/C30H41N7O8S/c1-3-45-26(39)18-34-28(41)27(40)24(17-21-11-6-4-7-12-21)35-25(38)19-37(2)29(42)23(15-10-16-33-30(31)32)36-46(43,44)20-22-13-8-5-9-14-22/h4-9,11-14,23-24,36H,3,10,15-20H2,1-2H3,(H,34,41)(H,35,38)(H4,31,32,33)/t23-,24+/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 Thrombin (FIIa)

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


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50093066
PNG
(((S)-4-Cyclohexyl-3-{2-[((R)-5-guanidino-2-phenylm...)
Show SMILES CCOC(=O)CNC(=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/C30H47N7O8S/c1-3-45-26(39)18-34-28(41)27(40)24(17-21-11-6-4-7-12-21)35-25(38)19-37(2)29(42)23(15-10-16-33-30(31)32)36-46(43,44)20-22-13-8-5-9-14-22/h5,8-9,13-14,21,23-24,36H,3-4,6-7,10-12,15-20H2,1-2H3,(H,34,41)(H,35,38)(H4,31,32,33)/t23-,24+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50093059
PNG
(((S)-4-(4-tert-Butoxy-phenyl)-3-{2-[((R)-5-guanidi...)
Show SMILES CCOC(=O)CNC(=O)C(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)CN(C)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C34H49N7O9S/c1-6-49-29(43)20-38-31(45)30(44)27(19-23-14-16-25(17-15-23)50-34(2,3)4)39-28(42)21-41(5)32(46)26(13-10-18-37-33(35)36)40-51(47,48)22-24-11-8-7-9-12-24/h7-9,11-12,14-17,26-27,40H,6,10,13,18-22H2,1-5H3,(H,38,45)(H,39,42)(H4,35,36,37)/t26-,27+/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))		BDBM50093058
PNG
(((S)-3-{2-[((R)-5-Guanidino-2-phenylmethanesulfony...)
Show SMILES CCOC(=O)CNC(=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/C30H41N7O8S/c1-3-45-26(39)18-34-28(41)27(40)24(17-21-11-6-4-7-12-21)35-25(38)19-37(2)29(42)23(15-10-16-33-30(31)32)36-46(43,44)20-22-13-8-5-9-14-22/h4-9,11-14,23-24,36H,3,10,15-20H2,1-2H3,(H,34,41)(H,35,38)(H4,31,32,33)/t23-,24+/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Serine protease 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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))		BDBM50093065
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCC(=O)NCCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C36H46N8O7S/c1-44(35(49)29(18-11-20-40-36(37)38)43-52(50,51)25-28-16-9-4-10-17-28)24-32(46)42-30(22-27-14-7-3-8-15-27)33(47)34(48)41-23-31(45)39-21-19-26-12-5-2-6-13-26/h2-10,12-17,29-30,43H,11,18-25H2,1H3,(H,39,45)(H,41,48)(H,42,46)(H4,37,38,40)/t29-,30+/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 Thrombin (FIIa)

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


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))		BDBM50093061
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES CN(CC(=O)N[C@@H](CC1CCCCC1)C(=O)C(=O)NCc1ccccc1)C(=O)[C@@H](CCCNC(N)=N)NS(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C33H47N7O6S/c1-40(32(44)27(18-11-19-36-33(34)35)39-47(45,46)23-26-16-9-4-10-17-26)22-29(41)38-28(20-24-12-5-2-6-13-24)30(42)31(43)37-21-25-14-7-3-8-15-25/h3-4,7-10,14-17,24,27-28,39H,2,5-6,11-13,18-23H2,1H3,(H,37,43)(H,38,41)(H4,34,35,36)/t27-,28+/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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
Prothrombin


(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)


BindingDB Entry DOI: 10.7270/Q25Q4VBR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%