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BDBM50415863 CHEMBL358263

SMILES: CCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=MLTGAVXHWSDGIS-UHFFFAOYSA-N

Data: 3 KI  2 Kd

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 50415863   
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))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
0.0500n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
PDB
MMDB

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CHEMBL
PC cid
PC sid
PDB
UniChem

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Article
PubMed
0.0500n/an/an/an/an/an/an/an/a



The University of Tokushima Graduate School

Curated by ChEMBL


Assay Description
Binding affinity to human carbonic anhydrase 2


Bioorg Med Chem Lett 21: 141-4 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
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UniChem

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Article
PubMed
9.10E+6n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
PDB
MMDB

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PubMed
n/an/an/a 1.25E+5n/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as steady state dissociation co...


Citation and Details
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50415863
PNG
(CHEMBL358263)
Show SMILES CCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
PDB
MMDB

Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
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PubMed
n/an/an/a 9.83E+4n/an/an/an/an/a



Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Binding affinity to GST-fused human carbonic anhydrase-2 expressed in Escherichia coli BL21 codon plus cells assessed as dissociation constant by SPR...


Citation and Details
More data for this
Ligand-Target Pair