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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 = 'BDBM86067'   
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))
BDBM86067
PNG
(MPC)
Show SMILES Cc1cccc(c1)-c1cc2cc(O)c(O)cc2oc1=O
Show InChI InChI=1S/C16H12O4/c1-9-3-2-4-10(5-9)12-6-11-7-13(17)14(18)8-15(11)20-16(12)19/h2-8,17-18H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.20E+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))
BDBM86067
PNG
(MPC)
Show SMILES Cc1cccc(c1)-c1cc2cc(O)c(O)cc2oc1=O
Show InChI InChI=1S/C16H12O4/c1-9-3-2-4-10(5-9)12-6-11-7-13(17)14(18)8-15(11)20-16(12)19/h2-8,17-18H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 8.37E+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