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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 14' and Ligand = 'BDBM13075'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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Article
PubMed
n/an/an/a 0.540n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
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Article
PubMed
n/an/an/a 0.540n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as kinetic dissociation constant...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
PDB

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MCE
PC cid
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Article
PubMed
n/an/an/a 440n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human carbonic anhydrase 14 expressed in Escherichia coli expression system assessed as observed dissociation constan...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111825
BindingDB Entry DOI: 10.7270/Q2VX0KS1
More data for this
Ligand-Target Pair
Carbonic anhydrase 14


(Homo sapiens (Human))
BDBM13075
PNG
(2,4-dichloro-5-sulfamoylbenzoic acid | 2000-01951 ...)
Show SMILES NS(=O)(=O)c1cc(C(O)=O)c(Cl)cc1Cl
Show InChI InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 442n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant N-terminal His6-tagged human carbonic anhydrase 14 (20 to 280 residues) expressed in Escherichia coli Rosetta2 (DE3) ...


Eur J Med Chem 156: 61-78 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.059
BindingDB Entry DOI: 10.7270/Q2805559
More data for this
Ligand-Target Pair