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Compile Data Set for Download or QSAR

Found 8 hits of kd for monomerid = 50380156   
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 13 (CA XIII)


(Homo sapiens (Human))
BDBM50380156
PNG
(CHEMBL2010990)
Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)
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n/an/an/a 13n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase-13 by thermal shift assay


Eur J Med Chem 51: 259-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50380156
PNG
(CHEMBL2010990)
Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)
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n/an/an/a 25n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase-2 by thermal shift assay


Eur J Med Chem 51: 259-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50380156
PNG
(CHEMBL2010990)
Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)
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n/an/an/a 33n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase-1 by thermal shift assay


Eur J Med Chem 51: 259-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50380156
PNG
(CHEMBL2010990)
Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)
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antibodypedia
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PC sid
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n/an/an/a 71n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase-13 by isothermal titration calorimetry assay


Eur J Med Chem 51: 259-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50380156
PNG
(CHEMBL2010990)
Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)
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n/an/an/a 93n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase-2 by isothermal titration calorimetry assay


Eur J Med Chem 51: 259-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50380156
PNG
(CHEMBL2010990)
Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)
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n/an/an/a 100n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase-1 by isothermal titration calorimetry assay


Eur J Med Chem 51: 259-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50380156
PNG
(CHEMBL2010990)
Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)
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n/an/an/a 140n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase-7 by thermal shift assay


Eur J Med Chem 51: 259-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50380156
PNG
(CHEMBL2010990)
Show SMILES Cc1nc(SCC(=O)c2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C20H19N3O4S2/c1-13-17(11-14-5-3-2-4-6-14)19(25)23-20(22-13)28-12-18(24)15-7-9-16(10-8-15)29(21,26)27/h2-10H,11-12H2,1H3,(H2,21,26,27)(H,22,23,25)
PDB
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n/an/an/a 380n/an/an/an/an/a



Vilnius University

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant carbonic anhydrase-7 by isothermal titration calorimetry assay


Eur J Med Chem 51: 259-70 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.050
BindingDB Entry DOI: 10.7270/Q2FJ2HSF
More data for this
Ligand-Target Pair