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BDBM50173864 1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thiophene-6-sulfonic acid amide::CHEMBL194528

SMILES: NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1

InChI Key: InChIKey=OTANTTWNYRHXMB-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50173864   
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))
BDBM50173864
PNG
(1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thioph...)
Show SMILES NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1
Show InChI InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
8.80n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase II by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50173864
PNG
(1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thioph...)
Show SMILES NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1
Show InChI InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)
PDB
MMDB

NCI pathway
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
10n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against catalytic domain of human cloned Carbonic anhydrase IX by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50173864
PNG
(1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-benzo[b]thioph...)
Show SMILES NS(=O)(=O)c1ccc2CCS(=O)(=O)c2c1
Show InChI InChI=1S/C8H9NO4S2/c9-15(12,13)7-2-1-6-3-4-14(10,11)8(6)5-7/h1-2,5H,3-4H2,(H2,9,12,13)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
72n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human cloned Carbonic anhydrase I by the CO2 hydration method


Bioorg Med Chem Lett 15: 4872-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.078
BindingDB Entry DOI: 10.7270/Q2F18Z86
More data for this
Ligand-Target Pair