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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase' and Ligand = 'BDBM50028972'   
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


(Homo sapiens (Human))
BDBM50028972
PNG
(BENZENE SELENOIC ACID | Benzene Selenoic Acid)
Show SMILES O[Se](=O)c1ccccc1
Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50028972
PNG
(BENZENE SELENOIC ACID | Benzene Selenoic Acid)
Show SMILES O[Se](=O)c1ccccc1
Show InChI InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL




Bioorg Med Chem 25: 2518-2523 (2017)


Article DOI: 10.1016/j.bmc.2017.03.013
More data for this
Ligand-Target Pair