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Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 13 (CA XIII)' and Ligand = 'BDBM50329759'   
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 13 (CA XIII)


(Homo sapiens (Human))
BDBM50329759
PNG
(4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncnc(Cl)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C10H8ClN5O4S/c11-9-8(16(17)18)10(14-5-13-9)15-6-1-3-7(4-2-6)21(12,19)20/h1-5H,(H2,12,19,20)(H,13,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 14n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by isothermal titration calorimetry assay


Bioorg Med Chem 18: 7413-21 (2010)


Article DOI: 10.1016/j.bmc.2010.09.011
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50329759
PNG
(4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesu...)
Show SMILES NS(=O)(=O)c1ccc(Nc2ncnc(Cl)c2[N+]([O-])=O)cc1
Show InChI InChI=1S/C10H8ClN5O4S/c11-9-8(16(17)18)10(14-5-13-9)15-6-1-3-7(4-2-6)21(12,19)20/h1-5H,(H2,12,19,20)(H,13,14,15)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 2n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase 13 by thermal shift assay


Bioorg Med Chem 18: 7413-21 (2010)


Article DOI: 10.1016/j.bmc.2010.09.011
More data for this
Ligand-Target Pair