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BDBM50147090 7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-carboxamidine::CHEMBL320817

SMILES: COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N

InChI Key: InChIKey=ADSBUUURIYITQD-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 = 50147090   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
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320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against trypsin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
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antibodypedia
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PC sid
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450n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
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530n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator (urokinase)


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Kallikrein 1


(Homo sapiens (Human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
PDB

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3.30E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
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6.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against plasmin


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair
Tissue-type plasminogen activator


(Homo sapiens (Human))
BDBM50147090
PNG
(7-Methoxy-8-(tetrahydro-furan-3-yl)-naphthalene-2-...)
Show SMILES COc1ccc2ccc(cc2c1C1CCOC1)C(N)=N
Show InChI InChI=1S/C16H18N2O2/c1-19-14-5-4-10-2-3-11(16(17)18)8-13(10)15(14)12-6-7-20-9-12/h2-5,8,12H,6-7,9H2,1H3,(H3,17,18)
PDB
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NCI pathway
Reactome pathway
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7.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards tissue type plasminogen activator


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair