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BDBM50294029 CHEMBL541253::PARA-TOLUENE SULFONATE::p-toluenesulfonate

SMILES: Cc1ccc(cc1)S(O)(=O)=O

InChI Key: InChIKey=JOXIMZWYDAKGHI-UHFFFAOYSA-N

Data: 1 KI

PDB links: 6 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 1 hit for monomerid = 50294029   
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 2


(Homo sapiens (Human))
BDBM50294029
PNG
(CHEMBL541253 | PARA-TOLUENE SULFONATE | p-toluenes...)
Show SMILES Cc1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
PDB
MMDB

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Article
PubMed
4.60E+5n/an/an/an/an/an/an/an/a



ENSCM/UMII/UMR-CNRS 5635

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


J Med Chem 52: 4853-9 (2009)


Article DOI: 10.1021/jm900449v
BindingDB Entry DOI: 10.7270/Q26M36VH
More data for this
Ligand-Target Pair