BDBM50405310 4-Nitrobenzoic acid (5)::CHEMBL101263

SMILES OC(=O)c1ccc(cc1)[N+]([O-])=O

InChI Key InChIKey=OTLNPYWUJOZPPA-UHFFFAOYSA-N

Data  3 KI  1 IC50

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50405310   

TargetSiderophore-binding protein(Mycobacterium tuberculosis)
UniversitÓ degli Studi di Firenze

LigandPNGBDBM50405310(4-Nitrobenzoic acid (5) | CHEMBL101263)
Show SMILES OC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
Affinity DataKi:  520nM ΔG°:  -8.57kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
TargetBeta-carbonic anhydrase 1(Mycobacterium tuberculosis)
UniversitÓ degli Studi di Firenze

LigandPNGBDBM50405310(4-Nitrobenzoic acid (5) | CHEMBL101263)
Show SMILES OC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
Affinity DataKi:  5.87E+3nM ΔG°:  -7.13kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
TargetCarbonic anhydrase 2(Mycobacterium tuberculosis)
UniversitÓ degli Studi di Firenze

LigandPNGBDBM50405310(4-Nitrobenzoic acid (5) | CHEMBL101263)
Show SMILES OC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
Affinity DataKi:  8.10E+3nM ΔG°:  -6.94kcal/molepH: 7.5 T: 2°CAssay Description:An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...More data for this Ligand-Target Pair
TargetThiopurine S-methyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50405310(4-Nitrobenzoic acid (5) | CHEMBL101263)
Show SMILES OC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
Affinity DataIC50: 5.01E+5nMAssay Description:Inhibition of purified human kidney thiopurine methyltransferase (TPMT)More data for this Ligand-Target Pair