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BDBM50027306 1H-Indole-5-carboxamidine::CHEMBL26490

SMILES: NC(=N)c1ccc2[nH]ccc2c1

InChI Key: InChIKey=DAUPWONEWDTPEP-UHFFFAOYSA-N

Data: 5 KI  1 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 6 hits for monomerid = 50027306   
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


(Bos taurus (Bovine))
BDBM50027306
PNG
(1H-Indole-5-carboxamidine | CHEMBL26490)
Show SMILES NC(=N)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H9N3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12H,(H3,10,11)
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PubMed
7.68E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine thrombin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50027306
PNG
(1H-Indole-5-carboxamidine | CHEMBL26490)
Show SMILES NC(=N)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H9N3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12H,(H3,10,11)
PDB
MMDB

KEGG

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PubMed
2.91E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against bovine trypsin


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50027306
PNG
(1H-Indole-5-carboxamidine | CHEMBL26490)
Show SMILES NC(=N)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H9N3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12H,(H3,10,11)
PDB
MMDB

NCI pathway
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KEGG

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1.12E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against human plasminogen


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50027306
PNG
(1H-Indole-5-carboxamidine | CHEMBL26490)
Show SMILES NC(=N)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H9N3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12H,(H3,10,11)
PDB
MMDB

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PubMed
1.31E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition constant against Urokinase


J Med Chem 26: 294-8 (1983)


BindingDB Entry DOI: 10.7270/Q2NV9H8B
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50027306
PNG
(1H-Indole-5-carboxamidine | CHEMBL26490)
Show SMILES NC(=N)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H9N3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12H,(H3,10,11)
PDB
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KEGG

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5.00E+5n/an/an/an/an/an/an/an/a



Aurigene Discovery Technologies Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin by fluorescence based assay using 65 uM BOC-Gln-Arg-Arg -AMC as substrate


Bioorg Med Chem Lett 25: 5309-14 (2015)


BindingDB Entry DOI: 10.7270/Q24B335X
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50027306
PNG
(1H-Indole-5-carboxamidine | CHEMBL26490)
Show SMILES NC(=N)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C9H9N3/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,12H,(H3,10,11)
PDB

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Article
n/an/a 2.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of human alpha-thrombin catalytic activity.


Bioorg Med Chem Lett 6: 1339-1344 (1996)


Article DOI: 10.1016/0960-894X(96)00229-6
BindingDB Entry DOI: 10.7270/Q2TM7B2Z
More data for this
Ligand-Target Pair