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BDBM50429911 CHEMBL2333407

SMILES: NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc1ccccc1

InChI Key: InChIKey=XJNXCEJSOGKOSI-UHFFFAOYSA-N

Data: 5 Kd

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 = 50429911   
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 13 (CA XIII)


(Homo sapiens (Human))
BDBM50429911
PNG
(CHEMBL2333407)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
PDB

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Article
PubMed
n/an/an/a 0.400n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA13 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50429911
PNG
(CHEMBL2333407)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
PDB
MMDB

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Article
PubMed
n/an/an/a 77n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA12 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50429911
PNG
(CHEMBL2333407)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
PDB
MMDB

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Article
PubMed
n/an/an/a 0.25n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA1 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50429911
PNG
(CHEMBL2333407)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
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Article
PubMed
n/an/an/a 1.30n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM50429911
PNG
(CHEMBL2333407)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)S(=O)(=O)CCc1ccccc1
Show InChI InChI=1S/C14H11F4NO4S2/c15-9-11(17)14(25(19,22)23)12(18)10(16)13(9)24(20,21)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,19,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.30n/an/an/an/an/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA7 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)

More data for this
Ligand-Target Pair