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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 = 'BDBM50492598'   
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))
BDBM50492598
PNG
(CHEMBL2408088)
Show SMILES Cc1ccc2oc(=O)c(\C=N\c3ccc(cc3)S(=O)(=O)NC(N)=N)c(Cl)c2c1
Show InChI InChI=1S/C18H15ClN4O4S/c1-10-2-7-15-13(8-10)16(19)14(17(24)27-15)9-22-11-3-5-12(6-4-11)28(25,26)23-18(20)21/h2-9H,1H3,(H4,20,21,23)/b22-9+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 using 4-nitrophenylacetate as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 66: 1-11 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.035
BindingDB Entry DOI: 10.7270/Q2M61P55
More data for this
Ligand-Target Pair