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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50102097'   
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 2


(Homo sapiens (Human))
BDBM50102097
PNG
(Sodium Perchlorate)
Show SMILES [Na+].[O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
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>1.00E+8n/an/an/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for...


Bioorg Med Chem 23: 4831-8 (2015)


Article DOI: 10.1016/j.bmc.2015.05.029
BindingDB Entry DOI: 10.7270/Q20V8FK8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50102097
PNG
(Sodium Perchlorate)
Show SMILES [Na+].[O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
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>2.00E+8n/an/an/an/an/an/an/an/a



Italy; Universit£ degliStudi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 assessed as inhibition of CO2 hydration preincubated for 15 mins by Lineweaver-burk plot method


Bioorg Med Chem 25: 575-580 (2017)


Article DOI: 10.1016/j.bmc.2016.11.021
BindingDB Entry DOI: 10.7270/Q2M047FF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50102097
PNG
(Sodium Perchlorate)
Show SMILES [Na+].[O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
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>2.00E+8n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 at 20 degC preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem 21: 4472-6 (2013)


Article DOI: 10.1016/j.bmc.2013.05.058
BindingDB Entry DOI: 10.7270/Q28S4SV8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50102097
PNG
(Sodium Perchlorate)
Show SMILES [Na+].[O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
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>2.00E+8n/an/an/an/an/an/an/an/a



CNR

Curated by ChEMBL


Assay Description
Inhibition of human CA2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 25: 4800-4804 (2017)


Article DOI: 10.1016/j.bmc.2017.07.033
BindingDB Entry DOI: 10.7270/Q2028V0P
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50102097
PNG
(Sodium Perchlorate)
Show SMILES [Na+].[O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
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>2.00E+8n/an/an/an/an/an/an/an/a



Kochi Medical School

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 1127-32 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.124
BindingDB Entry DOI: 10.7270/Q2FX7DDZ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50102097
PNG
(Sodium Perchlorate)
Show SMILES [Na+].[O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
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>2.00E+8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem Lett 24: 4402-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.08.014
BindingDB Entry DOI: 10.7270/Q2348N4M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50102097
PNG
(Sodium Perchlorate)
Show SMILES [Na+].[O-][Cl](=O)(=O)=O
Show InChI InChI=1S/ClHO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
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>2.00E+8n/an/an/an/an/an/an/an/a



Istituto di Bioscienze e Biorisorse, CNR

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 assessed as inhibition of CO2 hydration incubated for 15 mins prior to testing by stopped flow C...


Bioorg Med Chem 25: 2010-2015 (2017)


Article DOI: 10.1016/j.bmc.2017.02.032
BindingDB Entry DOI: 10.7270/Q2JD5012
More data for this
Ligand-Target Pair