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BDBM48319 4-amino-2-hydroxy-benzoic acid::4-amino-2-hydroxybenzoic acid::4-azanyl-2-oxidanyl-benzoic acid::Aminosalicylic Acid::ISONICOTINIC ACID HYDRAZIDE P-AMINOSALICYLATE SALT::MLS000069579::P-AMINOSALICYLIC ACID::Parasal::SMR000058830::cid_11988145

SMILES: Nc1ccc(C(O)=O)c(O)c1

InChI Key: InChIKey=WUBBRNOQWQTFEX-UHFFFAOYSA-N

Data: 2 KI  4 IC50  3 Kd

PDB links: 3 PDB IDs match this monomer.

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 = 48319   
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


(Homo sapiens (human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
PDB
MMDB

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Article
PubMed
2.40E+5n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
PDB
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PubMed
1.23E+6n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
PDB
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PubMed
n/an/an/a 1.20E+6n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Protein-tyrosine phosphatase 1B (PTP 1B) site 2 Ligands were identified using [13C]-labeled protein and their Dissociation Constants were determined


J Med Chem 46: 3437-40 (2003)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
PDB
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Article
PubMed
n/an/an/a 1.20E+3n/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Dissociation constant of the compound against protein tyrosine phosphatase PTB1B receptor was determined


J Med Chem 46: 4232-5 (2003)

More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
PDB
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n/an/an/a 1.20E+6n/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Dissociation constant for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
PDB
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Article
PubMed
n/an/a 7.50E+5n/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry


Bioorg Med Chem 16: 9101-5 (2008)

More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
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PCBioAssay
n/an/a 1.37E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


Citation and Details
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
UniProtKB/SwissProt

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KEGG
PC cid
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PCBioAssay
n/an/a 6.82E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM48319
PNG
(4-amino-2-hydroxy-benzoic acid | 4-amino-2-hydroxy...)
Show SMILES Nc1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11)
PDB
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KEGG
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PC sid
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Article
PubMed
n/an/a 1.30E+5n/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry


Bioorg Med Chem 16: 9101-5 (2008)

More data for this
Ligand-Target Pair