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BDBM50182477 CHEMBL202311::N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2 SULPHONAMIDE::N-tetrazol-5-yl-9-oxo-9H-xanthene-2-sulfonamide

SMILES: O=c1c2ccccc2oc2ccc(cc12)S(=O)(=O)Nc1nnn[nH]1

InChI Key: InChIKey=HJWYZPGYPZNDTN-UHFFFAOYSA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50182477   
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
3-dehydroquinate dehydratase


(Helicobacter pylori)
BDBM50182477
PNG
(CHEMBL202311 | N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2...)
Show SMILES O=c1c2ccccc2oc2ccc(cc12)S(=O)(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
UniChem
MMDB
Article
PubMed
n/an/an/a 2.00E+4n/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Binding affinity for Helicobacter pylori DHQase 2


J Med Chem 49: 1282-90 (2006)


Article DOI: 10.1021/jm0505361
BindingDB Entry DOI: 10.7270/Q27P8XZF
More data for this
Ligand-Target Pair
3-dehydroquinate dehydratase


(Streptomyces coelicolor)
BDBM50182477
PNG
(CHEMBL202311 | N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE-2...)
Show SMILES O=c1c2ccccc2oc2ccc(cc12)S(=O)(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C14H9N5O4S/c20-13-9-3-1-2-4-11(9)23-12-6-5-8(7-10(12)13)24(21,22)17-14-15-18-19-16-14/h1-7H,(H2,15,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.30E+5n/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Binding affinity for Streptomyces coelicolor DHQase 2


J Med Chem 49: 1282-90 (2006)


Article DOI: 10.1021/jm0505361
BindingDB Entry DOI: 10.7270/Q27P8XZF
More data for this
Ligand-Target Pair