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SMILES: CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N

InChI Key: InChIKey=JXACIHBLOJXPAF-CYBMUJFWSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50110004   
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
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50110004
PNG
((1-{[(4-Carbamimidoyl-benzylcarbamoyl)-methyl]-car...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H27N5O5/c1-18(2,3)28-17(27)23-13(10-24)16(26)22-9-14(25)21-8-11-4-6-12(7-5-11)15(19)20/h4-7,13,24H,8-10H2,1-3H3,(H3,19,20)(H,21,25)(H,22,26)(H,23,27)/t13-/m1/s1
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PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of plasminogen activator urokinase.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50110004
PNG
((1-{[(4-Carbamimidoyl-benzylcarbamoyl)-methyl]-car...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H27N5O5/c1-18(2,3)28-17(27)23-13(10-24)16(26)22-9-14(25)21-8-11-4-6-12(7-5-11)15(19)20/h4-7,13,24H,8-10H2,1-3H3,(H3,19,20)(H,21,25)(H,22,26)(H,23,27)/t13-/m1/s1
PDB

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antibodypedia
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PubMed
1.70E+5n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of thrombin.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50110004
PNG
((1-{[(4-Carbamimidoyl-benzylcarbamoyl)-methyl]-car...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H27N5O5/c1-18(2,3)28-17(27)23-13(10-24)16(26)22-9-14(25)21-8-11-4-6-12(7-5-11)15(19)20/h4-7,13,24H,8-10H2,1-3H3,(H3,19,20)(H,21,25)(H,22,26)(H,23,27)/t13-/m1/s1
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PubMed
1.40E+5n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of Coagulation factor Xa.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM50110004
PNG
((1-{[(4-Carbamimidoyl-benzylcarbamoyl)-methyl]-car...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H27N5O5/c1-18(2,3)28-17(27)23-13(10-24)16(26)22-9-14(25)21-8-11-4-6-12(7-5-11)15(19)20/h4-7,13,24H,8-10H2,1-3H3,(H3,19,20)(H,21,25)(H,22,26)(H,23,27)/t13-/m1/s1
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PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of trypsin.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50110004
PNG
((1-{[(4-Carbamimidoyl-benzylcarbamoyl)-methyl]-car...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C18H27N5O5/c1-18(2,3)28-17(27)23-13(10-24)16(26)22-9-14(25)21-8-11-4-6-12(7-5-11)15(19)20/h4-7,13,24H,8-10H2,1-3H3,(H3,19,20)(H,21,25)(H,22,26)(H,23,27)/t13-/m1/s1
PDB
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UniChem

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PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



Universitat Jena

Curated by ChEMBL


Assay Description
In vitro inhibition of Plasmin.


Bioorg Med Chem Lett 12: 645-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NZ86XS
More data for this
Ligand-Target Pair