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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'artunÁ' and Initial = 't'   
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))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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25.0n/a 26.6n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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40.8n/a 110n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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53.0n/a 141n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178048
PNG
((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1ccc(OC)c(OC)c1 |t:13|
Show InChI InChI=1S/C22H24O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13H,5-7H2,1-4H3
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228n/a 599n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178056
PNG
(1,2,4-tribromo-3-{[2-(2,5-dibromo-3,4-dimethoxyphe...)
Show SMILES COc1c(Br)cc(C2CCCC2Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC
Show InChI InChI=1/C22H23Br5O4/c1-28-19-14(23)9-12(16(25)20(19)29-2)11-7-5-6-10(11)8-13-15(24)18(27)22(31-4)21(30-3)17(13)26/h9-11H,5-8H2,1-4H3
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313n/a 275n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178048
PNG
((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1ccc(OC)c(OC)c1 |t:13|
Show InChI InChI=1S/C22H24O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13H,5-7H2,1-4H3
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366n/a 740n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178053
PNG
(4-[2-(3,4-Dimethoxybenzyl)cyclopentyl]-1,2-dimetho...)
Show SMILES COc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1/C22H28O4/c1-23-19-10-8-15(13-21(19)25-3)12-16-6-5-7-18(16)17-9-11-20(24-2)22(14-17)26-4/h8-11,13-14,16,18H,5-7,12H2,1-4H3
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421n/a 560n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178058
PNG
((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(O)C1CCCC1c1ccc(OC)c(OC)c1
Show InChI InChI=1/C22H28O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13,16-17,22-23H,5-7H2,1-4H3
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455n/a 514n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178057
PNG
(1-[3,6a-Bis(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahyd...)
Show SMILES COc1ccc(cc1OC)C1=NN(C(C)=O)C2(CCCC12)c1ccc(OC)c(OC)c1 |t:11|
Show InChI InChI=1/C24H28N2O5/c1-15(27)26-24(17-9-11-20(29-3)22(14-17)31-5)12-6-7-18(24)23(25-26)16-8-10-19(28-2)21(13-16)30-4/h8-11,13-14,18H,6-7,12H2,1-5H3
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492n/a 564n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178056
PNG
(1,2,4-tribromo-3-{[2-(2,5-dibromo-3,4-dimethoxyphe...)
Show SMILES COc1c(Br)cc(C2CCCC2Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC
Show InChI InChI=1/C22H23Br5O4/c1-28-19-14(23)9-12(16(25)20(19)29-2)11-7-5-6-10(11)8-13-15(24)18(27)22(31-4)21(30-3)17(13)26/h9-11H,5-8H2,1-4H3
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510n/a 475n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178049
PNG
((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(=O)C1CCC=C1c1ccc(OC)c(OC)c1 |c:16|
Show InChI InChI=1/C22H24O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17H,5,7H2,1-4H3
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561n/a 422n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178055
PNG
([2-(4,5-dimethoxy-2-nitrophenyl)cyclopent-1-en-1-y...)
Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1cc(OC)c(OC)cc1[N+]([O-])=O |t:13|
Show InChI InChI=1S/C22H23NO7/c1-27-18-9-8-13(10-19(18)28-2)22(24)15-7-5-6-14(15)16-11-20(29-3)21(30-4)12-17(16)23(25)26/h8-12H,5-7H2,1-4H3
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573n/a 854n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178059
PNG
((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(OC(=O)c1ccc(cc1)[N+]([O-])=O)C1CCCC1c1ccc(OC)c(OC)c1
Show InChI InChI=1/C29H31NO8/c1-34-24-14-10-19(16-26(24)36-3)22-6-5-7-23(22)28(20-11-15-25(35-2)27(17-20)37-4)38-29(31)18-8-12-21(13-9-18)30(32)33/h8-17,22-23,28H,5-7H2,1-4H3
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588n/a 390n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178057
PNG
(1-[3,6a-Bis(3,4-dimethoxyphenyl)-4,5,6,6a-tetrahyd...)
Show SMILES COc1ccc(cc1OC)C1=NN(C(C)=O)C2(CCCC12)c1ccc(OC)c(OC)c1 |t:11|
Show InChI InChI=1/C24H28N2O5/c1-15(27)26-24(17-9-11-20(29-3)22(14-17)31-5)12-6-7-18(24)23(25-26)16-8-10-19(28-2)21(13-16)30-4/h8-11,13-14,18H,6-7,12H2,1-5H3
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606n/a 441n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178052
PNG
((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C1CCCC1C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13,16-17H,5-7H2,1-4H3
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610n/a 472n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178059
PNG
((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(OC(=O)c1ccc(cc1)[N+]([O-])=O)C1CCCC1c1ccc(OC)c(OC)c1
Show InChI InChI=1/C29H31NO8/c1-34-24-14-10-19(16-26(24)36-3)22-6-5-7-23(22)28(20-11-15-25(35-2)27(17-20)37-4)38-29(31)18-8-12-21(13-9-18)30(32)33/h8-17,22-23,28H,5-7H2,1-4H3
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616n/a 395n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178050
PNG
((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(O)C1CCC=C1c1ccc(OC)c(OC)c1 |c:16|
Show InChI InChI=1/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17,22-23H,5,7H2,1-4H3
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656n/a 602n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178054
PNG
((4,5-dimethoxy-2-nitrophenyl)[2-(4,5-dimethoxy-2-n...)
Show SMILES COc1cc(C(=O)C2=C(CCC2)c2cc(OC)c(OC)cc2[N+]([O-])=O)c(cc1OC)[N+]([O-])=O |t:7|
Show InChI InChI=1S/C22H22N2O9/c1-30-18-8-14(16(23(26)27)10-20(18)32-3)12-6-5-7-13(12)22(25)15-9-19(31-2)21(33-4)11-17(15)24(28)29/h8-11H,5-7H2,1-4H3
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690n/a 648n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178049
PNG
((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(=O)C1CCC=C1c1ccc(OC)c(OC)c1 |c:16|
Show InChI InChI=1/C22H24O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17H,5,7H2,1-4H3
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735n/a 624n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178046
PNG
(1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol (9))
Show SMILES COc1ccc(cc1OC)C(O)CCCCC(O)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C22H30O6/c1-25-19-11-9-15(13-21(19)27-3)17(23)7-5-6-8-18(24)16-10-12-20(26-2)22(14-16)28-4/h9-14,17-18,23-24H,5-8H2,1-4H3
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779n/a 625n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178045
PNG
(1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-dione (8))
Show SMILES COc1ccc(cc1OC)C(=O)CCCCC(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H26O6/c1-25-19-11-9-15(13-21(19)27-3)17(23)7-5-6-8-18(24)16-10-12-20(26-2)22(14-16)28-4/h9-14H,5-8H2,1-4H3
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841n/a 434n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178054
PNG
((4,5-dimethoxy-2-nitrophenyl)[2-(4,5-dimethoxy-2-n...)
Show SMILES COc1cc(C(=O)C2=C(CCC2)c2cc(OC)c(OC)cc2[N+]([O-])=O)c(cc1OC)[N+]([O-])=O |t:7|
Show InChI InChI=1S/C22H22N2O9/c1-30-18-8-14(16(23(26)27)10-20(18)32-3)12-6-5-7-13(12)22(25)15-9-19(31-2)21(33-4)11-17(15)24(28)29/h8-11H,5-7H2,1-4H3
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849n/a 527n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178045
PNG
(1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-dione (8))
Show SMILES COc1ccc(cc1OC)C(=O)CCCCC(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H26O6/c1-25-19-11-9-15(13-21(19)27-3)17(23)7-5-6-8-18(24)16-10-12-20(26-2)22(14-16)28-4/h9-14H,5-8H2,1-4H3
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903n/a 346n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178053
PNG
(4-[2-(3,4-Dimethoxybenzyl)cyclopentyl]-1,2-dimetho...)
Show SMILES COc1ccc(CC2CCCC2c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1/C22H28O4/c1-23-19-10-8-15(13-21(19)25-3)12-16-6-5-7-18(16)17-9-11-20(24-2)22(14-17)26-4/h8-11,13-14,16,18H,5-7,12H2,1-4H3
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1.03E+3n/a 504n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178047
PNG
(1,6-bis(4,5-dimethoxy-2-nitrophenyl)hexane-1,6-dio...)
Show SMILES COc1cc(C(=O)CCCCC(=O)c2cc(OC)c(OC)cc2[N+]([O-])=O)c(cc1OC)[N+]([O-])=O
Show InChI InChI=1S/C22H24N2O10/c1-31-19-9-13(15(23(27)28)11-21(19)33-3)17(25)7-5-6-8-18(26)14-10-20(32-2)22(34-4)12-16(14)24(29)30/h9-12H,5-8H2,1-4H3
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1.26E+3n/a 543n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178047
PNG
(1,6-bis(4,5-dimethoxy-2-nitrophenyl)hexane-1,6-dio...)
Show SMILES COc1cc(C(=O)CCCCC(=O)c2cc(OC)c(OC)cc2[N+]([O-])=O)c(cc1OC)[N+]([O-])=O
Show InChI InChI=1S/C22H24N2O10/c1-31-19-9-13(15(23(27)28)11-21(19)33-3)17(25)7-5-6-8-18(26)14-10-20(32-2)22(34-4)12-16(14)24(29)30/h9-12H,5-8H2,1-4H3
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1.34E+3n/a 395n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM178051
PNG
(1,2-phenylene diacetate (15))
Show SMILES CC(=O)Oc1ccccc1OC(C)=O
Show InChI InChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3
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1.54E+3n/a 815n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178050
PNG
((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(O)C1CCC=C1c1ccc(OC)c(OC)c1 |c:16|
Show InChI InChI=1/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h6,8-13,17,22-23H,5,7H2,1-4H3
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1.54E+3n/a 518n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178058
PNG
((3,4-dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C(O)C1CCCC1c1ccc(OC)c(OC)c1
Show InChI InChI=1/C22H28O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13,16-17,22-23H,5-7H2,1-4H3
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1.55E+3n/a 506n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178055
PNG
([2-(4,5-dimethoxy-2-nitrophenyl)cyclopent-1-en-1-y...)
Show SMILES COc1ccc(cc1OC)C(=O)C1=C(CCC1)c1cc(OC)c(OC)cc1[N+]([O-])=O |t:13|
Show InChI InChI=1S/C22H23NO7/c1-27-18-9-8-13(10-19(18)28-2)22(24)15-7-5-6-14(15)16-11-20(29-3)21(30-4)12-17(16)23(25)26/h8-12H,5-7H2,1-4H3
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1.58E+3n/a 578n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10884
PNG
((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...)
Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r|
Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
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1.69E+3n/a 1.58E+3n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178052
PNG
((3,4-Dimethoxyphenyl)[2-(3,4-dimethoxyphenyl)cyclo...)
Show SMILES COc1ccc(cc1OC)C1CCCC1C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C22H26O5/c1-24-18-10-8-14(12-20(18)26-3)16-6-5-7-17(16)22(23)15-9-11-19(25-2)21(13-15)27-4/h8-13,16-17H,5-7H2,1-4H3
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1.79E+3n/a 656n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178051
PNG
(1,2-phenylene diacetate (15))
Show SMILES CC(=O)Oc1ccccc1OC(C)=O
Show InChI InChI=1S/C10H10O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h3-6H,1-2H3
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1.81E+3n/a 736n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM178046
PNG
(1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol (9))
Show SMILES COc1ccc(cc1OC)C(O)CCCCC(O)c1ccc(OC)c(OC)c1
Show InChI InChI=1/C22H30O6/c1-25-19-11-9-15(13-21(19)27-3)17(23)7-5-6-8-18(24)16-10-12-20(26-2)22(14-16)28-4/h9-14,17-18,23-24H,5-8H2,1-4H3
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1.93E+3n/a 697n/an/an/an/an/an/a



Atat£rk University



Assay Description
CA isoenzymes activities were determined in according to the method of Verpoorte et al. (76) described previously (77). The increasing in absorbance ...


Chem Biol Drug Des 87: 594-607 (2016)


Article DOI: 10.1111/cbdd.12695
BindingDB Entry DOI: 10.7270/Q20R9N5Q
More data for this
Ligand-Target Pair