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Compile Data Set for Download or QSAR

Found 55 hits of ki data for polymerid = 232   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26993
PNG
(BF4(-) | CHEMBL1780189 | Tetrafluoroborate | tetra...)
Show SMILES F[B-](F)(F)F
Show InChI InChI=1S/BF4/c2-1(3,4)5/q-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-1 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))
BDBM26993
PNG
(BF4(-) | CHEMBL1780189 | Tetrafluoroborate | tetra...)
Show SMILES F[B-](F)(F)F
Show InChI InChI=1S/BF4/c2-1(3,4)5/q-1
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Article
PubMed
>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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Article
PubMed
>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))
BDBM50209223
PNG
(CHEBI:28741 | Dentiplus | Duraphat | En-De-Kay | F...)
Show SMILES [F-].[Na+]
Show InChI InChI=1S//
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Article
PubMed
>3.00E+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 1


(Homo sapiens (Human))
BDBM50209223
PNG
(CHEBI:28741 | Dentiplus | Duraphat | En-De-Kay | F...)
Show SMILES [F-].[Na+]
Show InChI InChI=1S//
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Article
PubMed
>3.00E+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-1 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
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