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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 8432   
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 9


(Homo sapiens (Human))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
PDB
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190 -35.7n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM248070
PNG
(4-Methyl-2H-benzo[g]chromen-2-one (5))
Show SMILES Cc1cc(=O)oc2cc3ccccc3cc12
Show InChI InChI=1S/C14H10O2/c1-9-6-14(15)16-13-8-11-5-3-2-4-10(11)7-12(9)13/h2-8H,1H3
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200 -35.5n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM248069
PNG
(4-Methyl-2H-benzo[h]chromen-2-one (4))
Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21
Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
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230 -35.2n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022184
PNG
(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3
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270 -34.9n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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450 -33.7n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM248070
PNG
(4-Methyl-2H-benzo[g]chromen-2-one (5))
Show SMILES Cc1cc(=O)oc2cc3ccccc3cc12
Show InChI InChI=1S/C14H10O2/c1-9-6-14(15)16-13-8-11-5-3-2-4-10(11)7-12(9)13/h2-8H,1H3
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3.30E+3 -29.1n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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4.30E+3 -28.5n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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4.80E+3 -28.2n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM248069
PNG
(4-Methyl-2H-benzo[h]chromen-2-one (4))
Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21
Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
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5.50E+3 -27.9n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
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6.40E+3 -27.6n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50022184
PNG
(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3
PDB
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6.60E+3 -27.5n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM248070
PNG
(4-Methyl-2H-benzo[g]chromen-2-one (5))
Show SMILES Cc1cc(=O)oc2cc3ccccc3cc12
Show InChI InChI=1S/C14H10O2/c1-9-6-14(15)16-13-8-11-5-3-2-4-10(11)7-12(9)13/h2-8H,1H3
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8.20E+3 -27.0n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
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8.40E+3 -26.9n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50022184
PNG
(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3
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8.70E+3 -26.8n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM248069
PNG
(4-Methyl-2H-benzo[h]chromen-2-one (4))
Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21
Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
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9.00E+3 -26.8n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM248069
PNG
(4-Methyl-2H-benzo[h]chromen-2-one (4))
Show SMILES Cc1cc(=O)oc2c1ccc1ccccc21
Show InChI InChI=1S/C14H10O2/c1-9-8-13(15)16-14-11(9)7-6-10-4-2-3-5-12(10)14/h2-8H,1H3
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>2.00E+5>-19.6n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022184
PNG
(7,8-Dihydroxy-4-methyl-2H-chromen-2-one (3) | 7,8-...)
Show SMILES Cc1cc(=O)oc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H8O4/c1-5-4-8(12)14-10-6(5)2-3-7(11)9(10)13/h2-4,11,13H,1H3
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>2.00E+5>-19.6n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022180
PNG
(5,7-Dihydroxy-4-methyl-2H-chromen-2-one (2) | 5,7-...)
Show SMILES Cc1cc(=O)oc2cc(O)cc(O)c12
Show InChI InChI=1S/C10H8O4/c1-5-2-9(13)14-8-4-6(11)3-7(12)10(5)8/h2-4,11-12H,1H3
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>2.00E+5>-19.6n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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>2.00E+5>-19.6n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM248070
PNG
(4-Methyl-2H-benzo[g]chromen-2-one (5))
Show SMILES Cc1cc(=O)oc2cc3ccccc3cc12
Show InChI InChI=1S/C14H10O2/c1-9-6-14(15)16-13-8-11-5-3-2-4-10(11)7-12(9)13/h2-8H,1H3
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>2.00E+5>-19.6n/an/an/an/an/a7.54



S.G.S.I.T.S



Assay Description
An applied photophysics stopped-flow instrument has been used for assaying the CA catalyzed CO2 hydration activity. Phenol red (at a concentration of...


J Enzyme Inhib Med Chem 29: 292-6 (2014)


BindingDB Entry DOI: 10.7270/Q2J38RFK
More data for this
Ligand-Target Pair