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3 similar compounds to monomer 50382718

Compile data set for download or QSAR
Wt: 146.2
BDBM50382713
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Wt: 204.3
BDBM50382716
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Wt: 260.4
BDBM50382717

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50382713,50382716,50382717   
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 2, isoform A


(Drosophila melanogaster)
BDBM50382716
PNG
(CHEMBL2023721)
Show SMILES CCCCN(CCCC)C([S-])=S
Show InChI InChI=1S/C9H19NS2/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1
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0.5n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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0.960n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Drosophila melanogaster)
BDBM50382717
PNG
(CHEMBL2023722)
Show SMILES CCCCCCN(CCCCCC)C([S-])=S
Show InChI InChI=1S/C13H27NS2/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,16)/p-1
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1.40n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2, isoform A


(Drosophila melanogaster)
BDBM50382717
PNG
(CHEMBL2023722)
Show SMILES CCCCCCN(CCCCCC)C([S-])=S
Show InChI InChI=1S/C13H27NS2/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,16)/p-1
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3.80n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair
Carbonic anhydrase 2, isoform A


(Drosophila melanogaster)
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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4.70n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50382716
PNG
(CHEMBL2023721)
Show SMILES CCCCN(CCCC)C([S-])=S
Show InChI InChI=1S/C9H19NS2/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1
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5.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50382717
PNG
(CHEMBL2023722)
Show SMILES CCCCCCN(CCCCCC)C([S-])=S
Show InChI InChI=1S/C13H27NS2/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,16)/p-1
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16n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Drosophila melanogaster)
BDBM50382716
PNG
(CHEMBL2023721)
Show SMILES CCCCN(CCCC)C([S-])=S
Show InChI InChI=1S/C9H19NS2/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1
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17n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50382717
PNG
(CHEMBL2023722)
Show SMILES CCCCCCN(CCCCCC)C([S-])=S
Show InChI InChI=1S/C13H27NS2/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,16)/p-1
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50382716
PNG
(CHEMBL2023721)
Show SMILES CCCCN(CCCC)C([S-])=S
Show InChI InChI=1S/C9H19NS2/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1
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43n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
PDB
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46n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50382717
PNG
(CHEMBL2023722)
Show SMILES CCCCCCN(CCCCCC)C([S-])=S
Show InChI InChI=1S/C13H27NS2/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,16)/p-1
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48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50382716
PNG
(CHEMBL2023721)
Show SMILES CCCCN(CCCC)C([S-])=S
Show InChI InChI=1S/C9H19NS2/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1
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50n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50382716
PNG
(CHEMBL2023721)
Show SMILES CCCCN(CCCC)C([S-])=S
Show InChI InChI=1S/C9H19NS2/c1-3-5-7-10(9(11)12)8-6-4-2/h3-8H2,1-2H3,(H,11,12)/p-1
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50382717
PNG
(CHEMBL2023722)
Show SMILES CCCCCCN(CCCCCC)C([S-])=S
Show InChI InChI=1S/C13H27NS2/c1-3-5-7-9-11-14(13(15)16)12-10-8-6-4-2/h3-12H2,1-2H3,(H,15,16)/p-1
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51n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 1721-30 (2012)


Article DOI: 10.1021/jm300031j
BindingDB Entry DOI: 10.7270/Q2GQ6ZSC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Drosophila melanogaster)
BDBM50382713
PNG
(CHEMBL2021946)
Show SMILES [S-]C(=S)N1CCCC1
Show InChI InChI=1S/C5H9NS2/c7-5(8)6-3-1-2-4-6/h1-4H2,(H,7,8)/p-1
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135n/an/an/an/an/an/an/an/a



University of Tampere and Tampere University Hospital

Curated by ChEMBL


Assay Description
Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydra...


Bioorg Med Chem 21: 1516-21 (2013)


Article DOI: 10.1016/j.bmc.2012.08.046
BindingDB Entry DOI: 10.7270/Q2HT2QNH
More data for this
Ligand-Target Pair