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BDBM50138668 6-Carbamimidoyl-naphthalene-2-carboxylic acid (1-cyclopentyl-3,4-dihydro-isoquinolin-7-yl)-amide::CHEMBL323387

SMILES: NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1

InChI Key: InChIKey=YWZCPTFDCKPYIP-UHFFFAOYSA-N

Data: 6 KI

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 = 50138668   
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))
BDBM50138668
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (1-c...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1 |t:24|
Show InChI InChI=1S/C26H26N4O/c27-25(28)20-7-5-19-14-21(8-6-18(19)13-20)26(31)30-22-10-9-16-11-12-29-24(23(16)15-22)17-3-1-2-4-17/h5-10,13-15,17H,1-4,11-12H2,(H3,27,28)(H,30,31)
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35.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human urokinase-type plasminogen activator (microPa).


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Trypsin-1


(Homo sapiens (Human))
BDBM50138668
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (1-c...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1 |t:24|
Show InChI InChI=1S/C26H26N4O/c27-25(28)20-7-5-19-14-21(8-6-18(19)13-20)26(31)30-22-10-9-16-11-12-29-24(23(16)15-22)17-3-1-2-4-17/h5-10,13-15,17H,1-4,11-12H2,(H3,27,28)(H,30,31)
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58n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against porcine trypsin was determined.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50138668
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (1-c...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1 |t:24|
Show InChI InChI=1S/C26H26N4O/c27-25(28)20-7-5-19-14-21(8-6-18(19)13-20)26(31)30-22-10-9-16-11-12-29-24(23(16)15-22)17-3-1-2-4-17/h5-10,13-15,17H,1-4,11-12H2,(H3,27,28)(H,30,31)
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765n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human plasmin.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM50138668
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (1-c...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1 |t:24|
Show InChI InChI=1S/C26H26N4O/c27-25(28)20-7-5-19-14-21(8-6-18(19)13-20)26(31)30-22-10-9-16-11-12-29-24(23(16)15-22)17-3-1-2-4-17/h5-10,13-15,17H,1-4,11-12H2,(H3,27,28)(H,30,31)
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849n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human plasma kallikrein.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50138668
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (1-c...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1 |t:24|
Show InChI InChI=1S/C26H26N4O/c27-25(28)20-7-5-19-14-21(8-6-18(19)13-20)26(31)30-22-10-9-16-11-12-29-24(23(16)15-22)17-3-1-2-4-17/h5-10,13-15,17H,1-4,11-12H2,(H3,27,28)(H,30,31)
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3.13E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Tissue type plasminogen activator.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50138668
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (1-c...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc2CCN=C(C3CCCC3)c2c1 |t:24|
Show InChI InChI=1S/C26H26N4O/c27-25(28)20-7-5-19-14-21(8-6-18(19)13-20)26(31)30-22-10-9-16-11-12-29-24(23(16)15-22)17-3-1-2-4-17/h5-10,13-15,17H,1-4,11-12H2,(H3,27,28)(H,30,31)
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5.31E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human alpha thrombin.


J Med Chem 47: 303-24 (2004)


Article DOI: 10.1021/jm0300072
BindingDB Entry DOI: 10.7270/Q2BR8RMH
More data for this
Ligand-Target Pair