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14 similar compounds to monomer 50087638

Compile data set for download or QSAR
Wt: 524.5
BDBM50073428
Wt: 480.5
BDBM50073429
Wt: 466.5
BDBM50071693
Wt: 466.5
BDBM50076073
Wt: 525.6
BDBM50083743
Wt: 609.6
BDBM50087641
Wt: 551.6
BDBM50087642
Wt: 623.7
BDBM50087634
Wt: 565.6
BDBM50087644
Wt: 565.6
BDBM50087636
Wt: 470.5
BDBM50088978
Wt: 452.5
BDBM50290243
Wt: 538.6
BDBM50291006
Wt: 506.6
BDBM50290022

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 75 hits for monomerid = 50073428,50073429,50071693,50076073,50083743,50087641,50087642,50087634,50087644,50087636,50088978,50290243,50291006,50290022   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50071693
PNG
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1
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1n/an/an/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Evaluation of inhibition of transition state thrombin


Bioorg Med Chem Lett 9: 2625-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00448-5
BindingDB Entry DOI: 10.7270/Q2JW8D3W
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50087641
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C25H39N9O7S/c26-24(27)33-9-6-15(7-10-33)12-19(32-42(40,41)14-16-3-1-4-17(11-16)23(38)39)21(36)30-13-20(35)31-18-5-2-8-34(22(18)37)25(28)29/h1,3-4,11,15,18-19,22,32,37H,2,5-10,12-14H2,(H3,26,27)(H3,28,29)(H,30,36)(H,31,35)(H,38,39)/t18-,19+,22?/m0/s1
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16n/an/an/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50291006
PNG
(4-[2-(1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarb...)
Show SMILES COC(=O)C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C23H34N6O7S/c1-36-19(30)13-17(27-37(34,35)14-15-7-3-2-4-8-15)22(33)28-11-6-10-18(28)20(31)26-16-9-5-12-29(21(16)32)23(24)25/h2-4,7-8,16-18,21,27,32H,5-6,9-14H2,1H3,(H3,24,25)(H,26,31)/t16-,17-,18?,21?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme plasmin by 50%


Bioorg Med Chem Lett 7: 331-336 (1997)


Article DOI: 10.1016/S0960-894X(97)00004-8
BindingDB Entry DOI: 10.7270/Q2Z03850
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50087636
PNG
((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)
Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1
Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50087636
PNG
((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)
Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1
Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/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
In vitro inhibition of human thrombin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50087636
PNG
((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)
Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1
Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50071693
PNG
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1
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n/an/a 791n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was evaluated against human trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 8: 2501-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00448-x
BindingDB Entry DOI: 10.7270/Q28C9VCK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071693
PNG
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/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
In vitro inhibitory activity was evaluated against thrombin factor Xa (FXa)


Bioorg Med Chem Lett 8: 2501-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00448-x
BindingDB Entry DOI: 10.7270/Q28C9VCK
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50071693
PNG
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/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
In vitro inhibitory activity was evaluated against thrombolytic enzyme plasmin


Bioorg Med Chem Lett 8: 2501-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00448-x
BindingDB Entry DOI: 10.7270/Q28C9VCK
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50071693
PNG
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was evaluated against thrombin (FIIa)


Bioorg Med Chem Lett 8: 2501-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00448-x
BindingDB Entry DOI: 10.7270/Q28C9VCK
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50073428
PNG
(2-({(S)-1-[((S)-1-Carbamimidoyl-2-hydroxy-piperidi...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3C(O)=O)C2=O)C1O
Show InChI InChI=1S/C22H32N6O7S/c23-22(24)28-11-5-9-16(20(28)31)25-18(29)12-27-10-4-3-8-17(19(27)30)26-36(34,35)13-14-6-1-2-7-15(14)21(32)33/h1-2,6-7,16-17,20,26,31H,3-5,8-13H2,(H3,23,24)(H,25,29)(H,32,33)/t16-,17-,20?/m0/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
In vitro inhibitory activity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 3683-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00667-2
BindingDB Entry DOI: 10.7270/Q2ZP459T
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50073429
PNG
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against human trypsin


Bioorg Med Chem Lett 8: 3683-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00667-2
BindingDB Entry DOI: 10.7270/Q2ZP459T
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50073429
PNG
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/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
In vitro inhibitory activity of the compound was evaluated against thrombolytic enzyme plasmin


Bioorg Med Chem Lett 8: 3683-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00667-2
BindingDB Entry DOI: 10.7270/Q2ZP459T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50071693
PNG
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/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
In vitro inhibitory activity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 3683-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00667-2
BindingDB Entry DOI: 10.7270/Q2ZP459T
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50071693
PNG
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against human trypsin


Bioorg Med Chem Lett 8: 3683-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00667-2
BindingDB Entry DOI: 10.7270/Q2ZP459T
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50073429
PNG
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against Coagulation factor X


Bioorg Med Chem Lett 8: 3683-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00667-2
BindingDB Entry DOI: 10.7270/Q2ZP459T
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50073428
PNG
(2-({(S)-1-[((S)-1-Carbamimidoyl-2-hydroxy-piperidi...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3C(O)=O)C2=O)C1O
Show InChI InChI=1S/C22H32N6O7S/c23-22(24)28-11-5-9-16(20(28)31)25-18(29)12-27-10-4-3-8-17(19(27)30)26-36(34,35)13-14-6-1-2-7-15(14)21(32)33/h1-2,6-7,16-17,20,26,31H,3-5,8-13H2,(H3,23,24)(H,25,29)(H,32,33)/t16-,17-,20?/m0/s1
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n/an/a 247n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against human trypsin


Bioorg Med Chem Lett 8: 3683-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00667-2
BindingDB Entry DOI: 10.7270/Q2ZP459T
More data for this
Ligand-Target Pair
Plasmin


(Rattus norvegicus)
BDBM50073428
PNG
(2-({(S)-1-[((S)-1-Carbamimidoyl-2-hydroxy-piperidi...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3C(O)=O)C2=O)C1O
Show InChI InChI=1S/C22H32N6O7S/c23-22(24)28-11-5-9-16(20(28)31)25-18(29)12-27-10-4-3-8-17(19(27)30)26-36(34,35)13-14-6-1-2-7-15(14)21(32)33/h1-2,6-7,16-17,20,26,31H,3-5,8-13H2,(H3,23,24)(H,25,29)(H,32,33)/t16-,17-,20?/m0/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
In vitro inhibitory activity of the compound was evaluated against thrombolytic enzyme plasmin


Bioorg Med Chem Lett 8: 3683-8 (1999)


Article DOI: 10.1016/s0960-894x(98)00667-2
BindingDB Entry DOI: 10.7270/Q2ZP459T
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50076073
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/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
Concentration required for the in vitro inhibitory activity against human enzyme, Plasmin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50076073
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/s1
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n/an/a 791n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, trypsin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50076073
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/s1
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n/an/a 6.20n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
Concentration required for the in vitro inhibitory activity against human enzyme, thrombin cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50076073
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16?,19?/m0/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
Concentration required for the in vitro inhibitory activity against human enzyme, Factor Xa cleavage of the chromogenic substrate


Bioorg Med Chem Lett 9: 895-900 (1999)


Article DOI: 10.1016/s0960-894x(99)00102-x
BindingDB Entry DOI: 10.7270/Q2NS0T3Q
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50073429
PNG
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1
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n/an/a 0.710n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human enzyme thrombin


Bioorg Med Chem Lett 9: 2573-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00417-5
BindingDB Entry DOI: 10.7270/Q26M361R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50073429
PNG
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against human enzyme Coagulation factor X


Bioorg Med Chem Lett 9: 2573-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00417-5
BindingDB Entry DOI: 10.7270/Q26M361R
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50073429
PNG
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,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
In vitro inhibitory activity of the compound against human enzyme trypsin


Bioorg Med Chem Lett 9: 2573-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00417-5
BindingDB Entry DOI: 10.7270/Q26M361R
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50073429
PNG
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/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
In vitro inhibitory activity of the compound against human enzyme plasmin


Bioorg Med Chem Lett 9: 2573-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00417-5
BindingDB Entry DOI: 10.7270/Q26M361R
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50083743
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)NCCCC(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C21H35N9O5S/c22-20(23)26-10-4-8-15(29-36(34,35)13-14-6-2-1-3-7-14)18(32)27-12-17(31)28-16-9-5-11-30(19(16)33)21(24)25/h1-3,6-7,15-16,19,29,33H,4-5,8-13H2,(H3,24,25)(H,27,32)(H,28,31)(H4,22,23,26)/t15?,16-,19?/m0/s1
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Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human Thrombin (FIIa).


Bioorg Med Chem Lett 9: 3459-64 (2000)


Article DOI: 10.1016/s0960-894x(99)00628-9
BindingDB Entry DOI: 10.7270/Q2JD4W1F
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50083743
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)NCCCC(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C21H35N9O5S/c22-20(23)26-10-4-8-15(29-36(34,35)13-14-6-2-1-3-7-14)18(32)27-12-17(31)28-16-9-5-11-30(19(16)33)21(24)25/h1-3,6-7,15-16,19,29,33H,4-5,8-13H2,(H3,24,25)(H,27,32)(H,28,31)(H4,22,23,26)/t15?,16-,19?/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human Factor Xa.


Bioorg Med Chem Lett 9: 3459-64 (2000)


Article DOI: 10.1016/s0960-894x(99)00628-9
BindingDB Entry DOI: 10.7270/Q2JD4W1F
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50083743
PNG
(1N-[1-amino(imino)methyl-6-hydroxy-(5S)-tetrahydro...)
Show SMILES NC(=N)NCCCC(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C21H35N9O5S/c22-20(23)26-10-4-8-15(29-36(34,35)13-14-6-2-1-3-7-14)18(32)27-12-17(31)28-16-9-5-11-30(19(16)33)21(24)25/h1-3,6-7,15-16,19,29,33H,4-5,8-13H2,(H3,24,25)(H,27,32)(H,28,31)(H4,22,23,26)/t15?,16-,19?/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 9: 3459-64 (2000)


Article DOI: 10.1016/s0960-894x(99)00628-9
BindingDB Entry DOI: 10.7270/Q2JD4W1F
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50087634
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1
Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-5-2-4-17(12-18)15-43(40,41)33-20(13-16-7-10-34(11-8-16)25(27)28)22(37)31-14-21(36)32-19-6-3-9-35(23(19)38)26(29)30/h2,4-5,12,16,19-20,23,33,38H,3,6-11,13-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t19-,20+,23?/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50087634
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1
Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-5-2-4-17(12-18)15-43(40,41)33-20(13-16-7-10-34(11-8-16)25(27)28)22(37)31-14-21(36)32-19-6-3-9-35(23(19)38)26(29)30/h2,4-5,12,16,19-20,23,33,38H,3,6-11,13-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t19-,20+,23?/m0/s1
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n/an/a 387n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasmin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50087642
PNG
(CHEMBL163251 | N-[((S)-1-Carbamimidoyl-2-hydroxy-p...)
Show SMILES NC(=N)N1CCC(CC1)C(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C23H37N9O5S/c24-22(25)31-11-8-16(9-12-31)19(30-38(36,37)14-15-5-2-1-3-6-15)20(34)28-13-18(33)29-17-7-4-10-32(21(17)35)23(26)27/h1-3,5-6,16-17,19,21,30,35H,4,7-14H2,(H3,24,25)(H3,26,27)(H,28,34)(H,29,33)/t17-,19?,21?/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50087641
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C25H39N9O7S/c26-24(27)33-9-6-15(7-10-33)12-19(32-42(40,41)14-16-3-1-4-17(11-16)23(38)39)21(36)30-13-20(35)31-18-5-2-8-34(22(18)37)25(28)29/h1,3-4,11,15,18-19,22,32,37H,2,5-10,12-14H2,(H3,26,27)(H3,28,29)(H,30,36)(H,31,35)(H,38,39)/t18-,19+,22?/m0/s1
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n/an/a 231n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasmin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50087644
PNG
((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-11-8-16(9-12-32)13-19(31-39(37,38)15-17-5-2-1-3-6-17)21(35)29-14-20(34)30-18-7-4-10-33(22(18)36)24(27)28/h1-3,5-6,16,18-19,22,31,36H,4,7-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t18-,19+,22?/m0/s1
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n/an/a 0.830n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50087634
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1
Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-5-2-4-17(12-18)15-43(40,41)33-20(13-16-7-10-34(11-8-16)25(27)28)22(37)31-14-21(36)32-19-6-3-9-35(23(19)38)26(29)30/h2,4-5,12,16,19-20,23,33,38H,3,6-11,13-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t19-,20+,23?/m0/s1
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n/an/a 145n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50087642
PNG
(CHEMBL163251 | N-[((S)-1-Carbamimidoyl-2-hydroxy-p...)
Show SMILES NC(=N)N1CCC(CC1)C(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C23H37N9O5S/c24-22(25)31-11-8-16(9-12-31)19(30-38(36,37)14-15-5-2-1-3-6-15)20(34)28-13-18(33)29-17-7-4-10-32(21(17)35)23(26)27/h1-3,5-6,16-17,19,21,30,35H,4,7-14H2,(H3,24,25)(H3,26,27)(H,28,34)(H,29,33)/t17-,19?,21?/m0/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
In vitro inhibition of human thrombin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50087642
PNG
(CHEMBL163251 | N-[((S)-1-Carbamimidoyl-2-hydroxy-p...)
Show SMILES NC(=N)N1CCC(CC1)C(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C23H37N9O5S/c24-22(25)31-11-8-16(9-12-31)19(30-38(36,37)14-15-5-2-1-3-6-15)20(34)28-13-18(33)29-17-7-4-10-32(21(17)35)23(26)27/h1-3,5-6,16-17,19,21,30,35H,4,7-14H2,(H3,24,25)(H3,26,27)(H,28,34)(H,29,33)/t17-,19?,21?/m0/s1
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n/an/a 678n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasmin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50087634
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES COC(=O)c1cccc(CS(=O)(=O)N[C@H](CC2CCN(CC2)C(N)=N)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)c1
Show InChI InChI=1S/C26H41N9O7S/c1-42-24(39)18-5-2-4-17(12-18)15-43(40,41)33-20(13-16-7-10-34(11-8-16)25(27)28)22(37)31-14-21(36)32-19-6-3-9-35(23(19)38)26(29)30/h2,4-5,12,16,19-20,23,33,38H,3,6-11,13-15H2,1H3,(H3,27,28)(H3,29,30)(H,31,37)(H,32,36)/t19-,20+,23?/m0/s1
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Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50087642
PNG
(CHEMBL163251 | N-[((S)-1-Carbamimidoyl-2-hydroxy-p...)
Show SMILES NC(=N)N1CCC(CC1)C(NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C23H37N9O5S/c24-22(25)31-11-8-16(9-12-31)19(30-38(36,37)14-15-5-2-1-3-6-15)20(34)28-13-18(33)29-17-7-4-10-32(21(17)35)23(26)27/h1-3,5-6,16-17,19,21,30,35H,4,7-14H2,(H3,24,25)(H3,26,27)(H,28,34)(H,29,33)/t17-,19?,21?/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50087636
PNG
((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)
Show SMILES NC(=N)N1CCCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1
Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-10-4-8-17(14-32)12-19(31-39(37,38)15-16-6-2-1-3-7-16)21(35)29-13-20(34)30-18-9-5-11-33(22(18)36)24(27)28/h1-3,6-7,17-19,22,31,36H,4-5,8-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t17?,18-,19+,22?/m0/s1
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n/an/a 726n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasmin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50087644
PNG
((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-11-8-16(9-12-32)13-19(31-39(37,38)15-17-5-2-1-3-6-17)21(35)29-14-20(34)30-18-7-4-10-33(22(18)36)24(27)28/h1-3,5-6,16,18-19,22,31,36H,4,7-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t18-,19+,22?/m0/s1
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n/an/a 869n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human plasmin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50087644
PNG
((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-11-8-16(9-12-32)13-19(31-39(37,38)15-17-5-2-1-3-6-17)21(35)29-14-20(34)30-18-7-4-10-33(22(18)36)24(27)28/h1-3,5-6,16,18-19,22,31,36H,4,7-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t18-,19+,22?/m0/s1
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Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human thrombin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50087641
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C25H39N9O7S/c26-24(27)33-9-6-15(7-10-33)12-19(32-42(40,41)14-16-3-1-4-17(11-16)23(38)39)21(36)30-13-20(35)31-18-5-2-8-34(22(18)37)25(28)29/h1,3-4,11,15,18-19,22,32,37H,2,5-10,12-14H2,(H3,26,27)(H3,28,29)(H,30,36)(H,31,35)(H,38,39)/t18-,19+,22?/m0/s1
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n/an/a 211n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50087644
PNG
((R)-N-[((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C24H39N9O5S/c25-23(26)32-11-8-16(9-12-32)13-19(31-39(37,38)15-17-5-2-1-3-6-17)21(35)29-14-20(34)30-18-7-4-10-33(22(18)36)24(27)28/h1-3,5-6,16,18-19,22,31,36H,4,7-15H2,(H3,25,26)(H3,27,28)(H,29,35)(H,30,34)/t18-,19+,22?/m0/s1
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n/an/a 169n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human trypsin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50087641
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C25H39N9O7S/c26-24(27)33-9-6-15(7-10-33)12-19(32-42(40,41)14-16-3-1-4-17(11-16)23(38)39)21(36)30-13-20(35)31-18-5-2-8-34(22(18)37)25(28)29/h1,3-4,11,15,18-19,22,32,37H,2,5-10,12-14H2,(H3,26,27)(H3,28,29)(H,30,36)(H,31,35)(H,38,39)/t18-,19+,22?/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
In vitro inhibition of human Coagulation factor X.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50087641
PNG
(3-{[(R)-1-{[((S)-1-Carbamimidoyl-2-hydroxy-piperid...)
Show SMILES NC(=N)N1CCC(C[C@@H](NS(=O)(=O)Cc2cccc(c2)C(O)=O)C(=O)NCC(=O)N[C@H]2CCCN(C2O)C(N)=N)CC1
Show InChI InChI=1S/C25H39N9O7S/c26-24(27)33-9-6-15(7-10-33)12-19(32-42(40,41)14-16-3-1-4-17(11-16)23(38)39)21(36)30-13-20(35)31-18-5-2-8-34(22(18)37)25(28)29/h1,3-4,11,15,18-19,22,32,37H,2,5-10,12-14H2,(H3,26,27)(H3,28,29)(H,30,36)(H,31,35)(H,38,39)/t18-,19+,22?/m0/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
In vitro inhibition of human thrombin.


Bioorg Med Chem Lett 10: 745-9 (2000)


Article DOI: 10.1016/s0960-894x(00)00105-0
BindingDB Entry DOI: 10.7270/Q2D50M5R
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50088978
PNG
(CHEMBL176515 | N-[1-(1-Carbamimidoyl-2-hydroxy-pip...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C19H30N6O6S/c1-12(16(27)23-14-8-5-9-25(18(14)29)19(20)21)22-17(28)15(10-26)24-32(30,31)11-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,18,24,26,29H,5,8-11H2,1H3,(H3,20,21)(H,22,28)(H,23,27)/t12-,14-,15+,18?/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against human urokinase enzyme, activity expressed as IC50


Bioorg Med Chem Lett 10: 983-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00149-9
BindingDB Entry DOI: 10.7270/Q2765DKB
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50088978
PNG
(CHEMBL176515 | N-[1-(1-Carbamimidoyl-2-hydroxy-pip...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C19H30N6O6S/c1-12(16(27)23-14-8-5-9-25(18(14)29)19(20)21)22-17(28)15(10-26)24-32(30,31)11-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,18,24,26,29H,5,8-11H2,1H3,(H3,20,21)(H,22,28)(H,23,27)/t12-,14-,15+,18?/m0/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
The compound was tested in vitro for its inhibitory activity against human t-PA enzyme, activity expressed as IC50


Bioorg Med Chem Lett 10: 983-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00149-9
BindingDB Entry DOI: 10.7270/Q2765DKB
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50088978
PNG
(CHEMBL176515 | N-[1-(1-Carbamimidoyl-2-hydroxy-pip...)
Show SMILES C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H]1CCCN(C1O)C(N)=N
Show InChI InChI=1S/C19H30N6O6S/c1-12(16(27)23-14-8-5-9-25(18(14)29)19(20)21)22-17(28)15(10-26)24-32(30,31)11-13-6-3-2-4-7-13/h2-4,6-7,12,14-15,18,24,26,29H,5,8-11H2,1H3,(H3,20,21)(H,22,28)(H,23,27)/t12-,14-,15+,18?/m0/s1
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n/an/a 275n/an/an/an/an/an/a



Corvas International Inc

Curated by ChEMBL


Assay Description
The compound was tested in vitro for its inhibitory activity against human Plasmin enzyme, activity expressed as IC50


Bioorg Med Chem Lett 10: 983-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00149-9
BindingDB Entry DOI: 10.7270/Q2765DKB
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50071693
PNG
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)
Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1
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n/an/a 791n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme human trypsin by 50%


Bioorg Med Chem Lett 7: 331-336 (1997)


Article DOI: 10.1016/S0960-894X(97)00004-8
BindingDB Entry DOI: 10.7270/Q2Z03850
More data for this
Ligand-Target Pair
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