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)	Ligand	Target/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	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50294029 (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 Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	4.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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