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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 = 'BDBM50525477'   
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))
BDBM50525477
PNG
(CHEMBL4554643)
Show SMILES COc1cc(\C=C2\SC(Nc3ccc(OS(N)(=O)=O)cc3)=NC2=O)cc(OC)c1OC |c:21|
Show InChI InChI=1S/C19H19N3O7S2/c1-26-14-8-11(9-15(27-2)17(14)28-3)10-16-18(23)22-19(30-16)21-12-4-6-13(7-5-12)29-31(20,24)25/h4-10H,1-3H3,(H2,20,24,25)(H,21,22,23)/b16-10+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
18n/an/an/an/an/an/an/an/a



University of Sharjah

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9


Eur J Med Chem 179: 257-271 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.052
BindingDB Entry DOI: 10.7270/Q2B27ZQ2
More data for this
Ligand-Target Pair