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BDBM50138666 6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-hydroxymethyl-phenyl)-amide::CHEMBL111432

SMILES: NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1

InChI Key: InChIKey=DDKWYWKPXNAXSP-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 = 50138666   
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))
BDBM50138666
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-h...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1
Show InChI InChI=1S/C19H17N3O2/c20-18(21)15-5-3-14-10-16(6-4-13(14)9-15)19(24)22-17-7-1-12(11-23)2-8-17/h1-10,23H,11H2,(H3,20,21)(H,22,24)
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MMDB

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Article
PubMed
38n/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))
BDBM50138666
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-h...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1
Show InChI InChI=1S/C19H17N3O2/c20-18(21)15-5-3-14-10-16(6-4-13(14)9-15)19(24)22-17-7-1-12(11-23)2-8-17/h1-10,23H,11H2,(H3,20,21)(H,22,24)
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Article
PubMed
260n/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
Plasma kallikrein


(Homo sapiens (Human))
BDBM50138666
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-h...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1
Show InChI InChI=1S/C19H17N3O2/c20-18(21)15-5-3-14-10-16(6-4-13(14)9-15)19(24)22-17-7-1-12(11-23)2-8-17/h1-10,23H,11H2,(H3,20,21)(H,22,24)
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Article
PubMed
2.57E+3n/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
Plasminogen


(Homo sapiens (Human))
BDBM50138666
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-h...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1
Show InChI InChI=1S/C19H17N3O2/c20-18(21)15-5-3-14-10-16(6-4-13(14)9-15)19(24)22-17-7-1-12(11-23)2-8-17/h1-10,23H,11H2,(H3,20,21)(H,22,24)
PDB
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Article
PubMed
3.82E+3n/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
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50138666
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-h...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1
Show InChI InChI=1S/C19H17N3O2/c20-18(21)15-5-3-14-10-16(6-4-13(14)9-15)19(24)22-17-7-1-12(11-23)2-8-17/h1-10,23H,11H2,(H3,20,21)(H,22,24)
PDB
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NCI pathway
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Article
PubMed
8.35E+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))
BDBM50138666
PNG
(6-Carbamimidoyl-naphthalene-2-carboxylic acid (4-h...)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(=O)Nc1ccc(CO)cc1
Show InChI InChI=1S/C19H17N3O2/c20-18(21)15-5-3-14-10-16(6-4-13(14)9-15)19(24)22-17-7-1-12(11-23)2-8-17/h1-10,23H,11H2,(H3,20,21)(H,22,24)
PDB

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antibodypedia
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PC sid
UniChem

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Article
PubMed
3.51E+4n/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