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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50233539   
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 1


(Homo sapiens (Human))
BDBM50233539
PNG
(CHEMBL4068228)
Show SMILES COc1ccc(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C13H16O4/c1-16-11-4-3-8(6-12(11)17-2)5-9-7-10(9)13(14)15/h3-4,6,9-10H,5,7H2,1-2H3,(H,14,15)/t9-,10-/m1/s1
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PubMed
4.80n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method


J Med Chem 58: 640-50 (2015)


Article DOI: 10.1021/jm501573b
BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50233539
PNG
(CHEMBL4068228)
Show SMILES COc1ccc(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C13H16O4/c1-16-11-4-3-8(6-12(11)17-2)5-9-7-10(9)13(14)15/h3-4,6,9-10H,5,7H2,1-2H3,(H,14,15)/t9-,10-/m1/s1
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24n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using para-nitrophenylacetate as substrate measured over 3 mins by UV-vis spectrophotometric method


J Med Chem 58: 640-50 (2015)


Article DOI: 10.1021/jm501573b
BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50233539
PNG
(CHEMBL4068228)
Show SMILES COc1ccc(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C13H16O4/c1-16-11-4-3-8(6-12(11)17-2)5-9-7-10(9)13(14)15/h3-4,6,9-10H,5,7H2,1-2H3,(H,14,15)/t9-,10-/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA9 by stopped-flow CO2 hydration method


J Med Chem 58: 640-50 (2015)


Article DOI: 10.1021/jm501573b
BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50233539
PNG
(CHEMBL4068228)
Show SMILES COc1ccc(C[C@@H]2C[C@H]2C(O)=O)cc1OC |r|
Show InChI InChI=1S/C13H16O4/c1-16-11-4-3-8(6-12(11)17-2)5-9-7-10(9)13(14)15/h3-4,6,9-10H,5,7H2,1-2H3,(H,14,15)/t9-,10-/m1/s1
PDB
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PubMed
>5.00E+4n/an/an/an/an/an/an/an/a



Atat£rk University

Curated by ChEMBL


Assay Description
Inhibition of human CA12 by stopped-flow CO2 hydration method


J Med Chem 58: 640-50 (2015)


Article DOI: 10.1021/jm501573b
BindingDB Entry DOI: 10.7270/Q2PR7Z6B
More data for this
Ligand-Target Pair