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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 50292007   
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))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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0.700n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase II


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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2n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase II


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine carbonic anhydrase IV


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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PubMed
27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase I


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50292007
PNG
(CHEMBL1795064 | CHEMBL286828 | {{2-[2-(2-{Carboxym...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Nc2nnc(s2)S(N)(=O)=O)CC(O)=O)s1
Show InChI InChI=1S/C18H28N10O12S4/c19-43(35,36)17-25-23-15(41-17)21-11(29)7-27(9-13(31)32)1-3-39-5-6-40-4-2-28(10-14(33)34)8-12(30)22-16-24-26-18(42-16)44(20,37)38/h1-10H2,(H,31,32)(H,33,34)(H2,19,35,36)(H2,20,37,38)(H,21,23,29)(H,22,24,30)
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PubMed
55n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against Human carbonic anhydrase I


J Med Chem 45: 1466-76 (2002)


BindingDB Entry DOI: 10.7270/Q2N29XN9
More data for this
Ligand-Target Pair