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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 = 'BDBM50349844'   
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))
BDBM50349844
PNG
(CHEMBL1813214)
Show SMILES CC(Nc1nc(NCc2ccc(cc2)S(N)(=O)=O)nc(NC(C)C(O)=O)n1)C(O)=O
Show InChI InChI=1S/C16H21N7O6S/c1-8(12(24)25)19-15-21-14(22-16(23-15)20-9(2)13(26)27)18-7-10-3-5-11(6-4-10)30(17,28)29/h3-6,8-9H,7H2,1-2H3,(H,24,25)(H,26,27)(H2,17,28,29)(H3,18,19,20,21,22,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method


Bioorg Med Chem 19: 3105-19 (2011)


Article DOI: 10.1016/j.bmc.2011.04.005
BindingDB Entry DOI: 10.7270/Q2FF3SQ6
More data for this
Ligand-Target Pair