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BDBM50014341 4-amino(immino)methylaminobenzoate

SMILES: NC(=[NH2+])Nc1ccc(cc1)C([O-])=O

InChI Key: InChIKey=SXTSBZBQQRIYCU-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50014341   
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
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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630n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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1.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA2 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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2.56E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by stopped-flow assay


Bioorg Med Chem Lett 23: 715-9 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.102
BindingDB Entry DOI: 10.7270/Q2RV0Q16
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator/surface receptor


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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7.45E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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7.45E+5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Urokinase-type plasminogen activator


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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<1.00E+7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
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PubMed
1.00E+7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition against Trypsin


J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair
Trypsin I


(Bos taurus (bovine))
BDBM50014341
PNG
(4-amino(immino)methylaminobenzoate)
Show SMILES NC(=[NH2+])Nc1ccc(cc1)C([O-])=O
Show InChI InChI=1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11)
PDB
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KEGG

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PC sid
UniChem

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PubMed
1.00E+7n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




J Med Chem 33: 2956-61 (1990)


BindingDB Entry DOI: 10.7270/Q2GB24NB
More data for this
Ligand-Target Pair