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BDBM50145829 4-Aminobenzoesaeure::4-aminobenzoic acid::CHEMBL542::PABA::p-Aminobenzoesaeure::p-aminobenzoic acid::para-aminobenzoic acid

SMILES: Nc1ccc(cc1)C(O)=O

InChI Key: InChIKey=ALYNCZNDIQEVRV-UHFFFAOYSA-N

Data: 5 IC50  2 Kd

PDB links: 7 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 7 hits for monomerid = 50145829   
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
Hepatitis C virus serine protease, NS3/NS4A


(Hepatitis C virus)
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
PDB
MMDB

UniProtKB/TrEMBL

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PC sid
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Article
PubMed
n/an/an/a>4.00E+4n/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Dissociation constant for HCV NS3 protease substrate binding site


J Med Chem 47: 2486-98 (2004)


Article DOI: 10.1021/jm0305117
BindingDB Entry DOI: 10.7270/Q2FF3RSP
More data for this
Ligand-Target Pair
Succinate semialdehyde dehydrogenase


(Homo sapiens)
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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Article
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against SSADH


Bioorg Med Chem Lett 16: 592-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair
Gamma-amino-N-butyrate transaminase


(Homo sapiens)
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Huazhong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against GABAT


Bioorg Med Chem Lett 16: 592-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.040
BindingDB Entry DOI: 10.7270/Q29G5MCH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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PubMed
n/an/a 35.2n/an/an/an/an/an/a



Punjabi University

Curated by ChEMBL


Assay Description
Inhibition of AChE activity in rat brain homogenate using acetylthiocholine as substrate by Ellman's method


Bioorg Med Chem 20: 521-30 (2011)


Article DOI: 10.1016/j.bmc.2011.05.027
BindingDB Entry DOI: 10.7270/Q22B903F
More data for this
Ligand-Target Pair
Dihydropteroate synthase


(Bacillus anthracis)
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/an/a 5.62E+3n/an/an/an/an/a



University of Tennessee Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity to Bacillus anthracis DHPS expressed in Escherichia coli BL21 (DE3) after 30 mins by isothermal titration calorimetry


J Med Chem 53: 166-77 (2010)


Article DOI: 10.1021/jm900861d
BindingDB Entry DOI: 10.7270/Q2125TMH
More data for this
Ligand-Target Pair
Thiopurine S-methyltransferase


(Homo sapiens)
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/a 2.88E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified human kidney thiopurine methyltransferase (TPMT)


J Med Chem 29: 354-8 (1986)


Article DOI: 10.1021/jm00153a009
BindingDB Entry DOI: 10.7270/Q2445NPZ
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens)
BDBM50145829
PNG
(4-Aminobenzoesaeure | 4-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
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Article
PubMed
n/an/a>1.20E+5n/an/an/an/an/an/a



Whittier College

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP1B1 expressed in Escherichia coli DH5aplha cells assessed as O-deethylation of ethoxyresorufin in presence of NADP...


Bioorg Med Chem Lett 26: 3243-3247 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.064
BindingDB Entry DOI: 10.7270/Q2XG9T1M
More data for this
Ligand-Target Pair