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Compile Data Set for Download or QSAR

Found 22 hits from Artvin Coruh University   
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


(Homo sapiens (human))
BDBM50329694
PNG
(Bis(3,4-dihydroxyphenyl)methanone | CHEMBL1269420 ...)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H
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1.44E+3n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50386171
PNG
(CHEMBL253691 | hCA inhibitor, 5)
Show SMILES Oc1ccc(Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C13H12O4/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7,14-17H,5H2
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5.64E+3n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50386169
PNG
(CHEMBL2042369 | hCA inhibitor, 6)
Show SMILES Oc1c(O)c(Br)c(Br)cc1Br
Show InChI InChI=1S/C6H3Br3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H
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1.11E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50329694
PNG
(Bis(3,4-dihydroxyphenyl)methanone | CHEMBL1269420 ...)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H
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1.14E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50386171
PNG
(CHEMBL253691 | hCA inhibitor, 5)
Show SMILES Oc1ccc(Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C13H12O4/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7,14-17H,5H2
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1.37E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50329694
PNG
(Bis(3,4-dihydroxyphenyl)methanone | CHEMBL1269420 ...)
Show SMILES Oc1ccc(cc1O)C(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H
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1.80E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50386171
PNG
(CHEMBL253691 | hCA inhibitor, 5)
Show SMILES Oc1ccc(Cc2ccc(O)c(O)c2)cc1O
Show InChI InChI=1S/C13H12O4/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7,14-17H,5H2
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1.84E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50386169
PNG
(CHEMBL2042369 | hCA inhibitor, 6)
Show SMILES Oc1c(O)c(Br)c(Br)cc1Br
Show InChI InChI=1S/C6H3Br3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H
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2.53E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50386169
PNG
(CHEMBL2042369 | hCA inhibitor, 6)
Show SMILES Oc1c(O)c(Br)c(Br)cc1Br
Show InChI InChI=1S/C6H3Br3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H
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2.64E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50386168
PNG
(TETRABROMOCATECHOL | hCA inhibitor, 7)
Show SMILES Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C6H2Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
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2.91E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50386168
PNG
(TETRABROMOCATECHOL | hCA inhibitor, 7)
Show SMILES Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C6H2Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
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2.98E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50386168
PNG
(TETRABROMOCATECHOL | hCA inhibitor, 7)
Show SMILES Oc1c(O)c(Br)c(Br)c(Br)c1Br
Show InChI InChI=1S/C6H2Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
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3.21E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM236545
PNG
(hCA inhibitor, 2)
Show SMILES COc1ccc(cc1OC)C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C17H18O5/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3
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4.78E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50386170
PNG
(CHEMBL2016664 | hCA inhibitor, 4)
Show SMILES COc1ccc(Cc2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C17H20O4/c1-18-14-7-5-12(10-16(14)20-3)9-13-6-8-15(19-2)17(11-13)21-4/h5-8,10-11H,9H2,1-4H3
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5.91E+4n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50363490
PNG
(CHEMBL1946180 | hCA inhibitor, 8)
Show SMILES COc1c(Br)c(Br)c(CO)c(Br)c1OC
Show InChI InChI=1S/C9H9Br3O3/c1-14-8-6(11)4(3-13)5(10)7(12)9(8)15-2/h13H,3H2,1-2H3
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1.59E+5n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50363490
PNG
(CHEMBL1946180 | hCA inhibitor, 8)
Show SMILES COc1c(Br)c(Br)c(CO)c(Br)c1OC
Show InChI InChI=1S/C9H9Br3O3/c1-14-8-6(11)4(3-13)5(10)7(12)9(8)15-2/h13H,3H2,1-2H3
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1.93E+5n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM236545
PNG
(hCA inhibitor, 2)
Show SMILES COc1ccc(cc1OC)C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C17H18O5/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3
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2.93E+5n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50386170
PNG
(CHEMBL2016664 | hCA inhibitor, 4)
Show SMILES COc1ccc(Cc2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C17H20O4/c1-18-14-7-5-12(10-16(14)20-3)9-13-6-8-15(19-2)17(11-13)21-4/h5-8,10-11H,9H2,1-4H3
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3.82E+5n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM236545
PNG
(hCA inhibitor, 2)
Show SMILES COc1ccc(cc1OC)C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C17H18O5/c1-19-13-7-5-11(9-15(13)21-3)17(18)12-6-8-14(20-2)16(10-12)22-4/h5-10H,1-4H3
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4.03E+5n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50386170
PNG
(CHEMBL2016664 | hCA inhibitor, 4)
Show SMILES COc1ccc(Cc2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C17H20O4/c1-18-14-7-5-12(10-16(14)20-3)9-13-6-8-15(19-2)17(11-13)21-4/h5-8,10-11H,9H2,1-4H3
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5.37E+5n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50363489
PNG
(CHEMBL1946179 | hCA inhibitor, 9)
Show SMILES COc1c(Br)cc(Br)c(Br)c1OC
Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3
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8.92E+5n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50363489
PNG
(CHEMBL1946179 | hCA inhibitor, 9)
Show SMILES COc1c(Br)cc(Br)c(Br)c1OC
Show InChI InChI=1S/C8H7Br3O2/c1-12-7-5(10)3-4(9)6(11)8(7)13-2/h3H,1-2H3
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9.19E+5n/an/an/an/an/an/an/an/a



Artvin Coruh University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-NPA to 4-nitrophenylate ion over a period of 3 min at 25C using a spect...


J Enzyme Inhib Med Chem 27: 467-75 (2012)


Article DOI: 10.3109/14756366.2011.596836
BindingDB Entry DOI: 10.7270/Q2CN72TT
More data for this
Ligand-Target Pair