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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 1' and Ligand = 'BDBM86065'   
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 1


(Homo sapiens (Human))
BDBM86065
PNG
(DCP)
Show SMILES Oc1cc2cc(-c3ccccc3)c(=O)oc2cc1O
Show InChI InChI=1S/C15H10O4/c16-12-7-10-6-11(9-4-2-1-3-5-9)15(18)19-14(10)8-13(12)17/h1-8,16-17H
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.24E+5n/an/an/an/a10.0n/a



Balikesir University Science & Art Faculty



Assay Description
Carbonic anhydrase enzyme activity was assayed both with respect to its hydratase activity (i.e. hydration of CO2) and to its esterase activity (i.e....


J Enzyme Inhib Med Chem 23: 32-6 (2008)


Article DOI: 10.1080/14756360701404100
BindingDB Entry DOI: 10.7270/Q2T1526T
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM86065
PNG
(DCP)
Show SMILES Oc1cc2cc(-c3ccccc3)c(=O)oc2cc1O
Show InChI InChI=1S/C15H10O4/c16-12-7-10-6-11(9-4-2-1-3-5-9)15(18)19-14(10)8-13(12)17/h1-8,16-17H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+5n/an/an/an/a10.0n/a



Balikesir University Science & Art Faculty



Assay Description
Carbonic anhydrase enzyme activity was assayed both with respect to its hydratase activity (i.e. hydration of CO2) and to its esterase activity (i.e....


J Enzyme Inhib Med Chem 23: 32-6 (2008)


Article DOI: 10.1080/14756360701404100
BindingDB Entry DOI: 10.7270/Q2T1526T
More data for this
Ligand-Target Pair