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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50035676'   
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 9


(Homo sapiens (Human))
BDBM50035676
PNG
(CHEMBL2377772)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11N3O6S/c16-25(23,24)11-4-1-9(2-5-11)8-17-14(19)12-6-3-10(18(21)22)7-13(12)15(17)20/h1-7H,8H2,(H2,16,23,24)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
8.84E+3n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair