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SMILES: NS(=O)(=O)c1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50585427   
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))
BDBM50585427
PNG
(CHEMBL5076523)
Show SMILES NS(=O)(=O)c1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
5.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA2 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113997
BindingDB Entry DOI: 10.7270/Q2PV6Q80
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50585427
PNG
(CHEMBL5076523)
Show SMILES NS(=O)(=O)c1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
58n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA12 preincubated for 15 mins by phenol red based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113997
BindingDB Entry DOI: 10.7270/Q2PV6Q80
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50585427
PNG
(CHEMBL5076523)
Show SMILES NS(=O)(=O)c1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
85n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA1 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113997
BindingDB Entry DOI: 10.7270/Q2PV6Q80
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50585427
PNG
(CHEMBL5076523)
Show SMILES NS(=O)(=O)c1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.81E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human CA9 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113997
BindingDB Entry DOI: 10.7270/Q2PV6Q80
More data for this
Ligand-Target Pair