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BDBM50242142 CHEMBL4089916

SMILES: OC(=O)c1ccccc1S(=O)(=O)NCc1ccccc1

InChI Key: InChIKey=UMZGHILLPNBDOF-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50242142   
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 12


(Homo sapiens (Human))
BDBM50242142
PNG
(CHEMBL4089916)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H13NO4S/c16-14(17)12-8-4-5-9-13(12)20(18,19)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
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Article
PubMed
125n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-12 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by st...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50242142
PNG
(CHEMBL4089916)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H13NO4S/c16-14(17)12-8-4-5-9-13(12)20(18,19)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
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Article
PubMed
342n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-9 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50242142
PNG
(CHEMBL4089916)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H13NO4S/c16-14(17)12-8-4-5-9-13(12)20(18,19)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-1 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50242142
PNG
(CHEMBL4089916)
Show SMILES OC(=O)c1ccccc1S(=O)(=O)NCc1ccccc1
Show InChI InChI=1S/C14H13NO4S/c16-14(17)12-8-4-5-9-13(12)20(18,19)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Latvian Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase-2 assessed as reduction in CO2 hydration preincubated for 10 mins measured for 5 to 10 secs by sto...


Bioorg Med Chem 25: 3583-3589 (2017)


Article DOI: 10.1016/j.bmc.2017.04.007
BindingDB Entry DOI: 10.7270/Q2G73GWZ
More data for this
Ligand-Target Pair