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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50027536'   
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))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.21E+6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 by CO2 hydration assay


Bioorg Med Chem Lett 17: 2210-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.113
BindingDB Entry DOI: 10.7270/Q21C1XP7
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50027536
PNG
((phosphonoformate)Trisodium phosphonoformate | Ant...)
Show SMILES [O-]C(=O)P([O-])([O-])=O
Show InChI InChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)/p-3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
2.21E+6n/an/an/an/an/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Inhibition constant of anion against human carbonic anhydrase isozyme hCA IX


Bioorg Med Chem Lett 14: 5763-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.064
BindingDB Entry DOI: 10.7270/Q2V40TPN
More data for this
Ligand-Target Pair