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BDBM50071693 CHEMBL38927::CVS-1578::N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide::N-(1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(2-oxo-3-phenylmethanesulfonylamino-piperidin-1-yl)-acetamide

SMILES: NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O

InChI Key: InChIKey=SPUAEQJRVQHWKF-NRAVZPKASA-N

Data: 1 KI  17 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50071693   
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
Prothrombin


(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)


BindingDB Entry DOI: 10.7270/Q2JW8D3W
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(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



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required to inhibit human Tissue type plasminogen activator was determined


Bioorg Med Chem Lett 7: 1543-1548 (1997)


Article DOI: 10.1016/S0960-894X(97)00258-8
BindingDB Entry DOI: 10.7270/Q2HD7VNX
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)


BindingDB Entry DOI: 10.7270/Q28C9VCK
More data for this
Ligand-Target Pair
Prothrombin


(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)


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 of the compound was evaluated against Coagulation factor X


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


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)


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 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
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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibitory concentration required to inhibit Coagulation factor X 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
Prothrombin


(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



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibitory concentration required to inhibit human serine protease enzyme thrombin (FIIa) 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
Prothrombin


(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



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II


Bioorg Med Chem Lett 7: 2421-2426 (1997)


Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91
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



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor X


Bioorg Med Chem Lett 7: 2421-2426 (1997)


Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91
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



TBA

Curated by ChEMBL


Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin


Bioorg Med Chem Lett 7: 2421-2426 (1997)


Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91
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
Inhibitory concentration of the compound required to inhibit human trypsin enzyme was determined


Bioorg Med Chem Lett 7: 1543-1548 (1997)


Article DOI: 10.1016/S0960-894X(97)00258-8
BindingDB Entry DOI: 10.7270/Q2HD7VNX
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required to inhibit human plasmin enzyme was determined


Bioorg Med Chem Lett 7: 1543-1548 (1997)


Article DOI: 10.1016/S0960-894X(97)00258-8
BindingDB Entry DOI: 10.7270/Q2HD7VNX
More data for this
Ligand-Target Pair
Prothrombin


(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



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required to inhibit human thrombin enzyme was determined


Bioorg Med Chem Lett 7: 1543-1548 (1997)


Article DOI: 10.1016/S0960-894X(97)00258-8
BindingDB Entry DOI: 10.7270/Q2HD7VNX
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



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required to inhibit human factor Xa enzyme was determined


Bioorg Med Chem Lett 7: 1543-1548 (1997)


Article DOI: 10.1016/S0960-894X(97)00258-8
BindingDB Entry DOI: 10.7270/Q2HD7VNX
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)


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)


BindingDB Entry DOI: 10.7270/Q28C9VCK
More data for this
Ligand-Target Pair