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Compile Data Set for Download or QSAR

Found 17143 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2'   
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))
BDBM224006
PNG
(N-(3,6,9,12-Tetraoxapentadec-14-ynyl)-4-sulfamoylb...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCOCCOCC#C
Show InChI InChI=1S/C18H26N2O7S/c1-2-8-24-10-12-26-14-15-27-13-11-25-9-7-20-18(21)16-3-5-17(6-4-16)28(19,22)23/h1,3-6H,7-15H2,(H,20,21)(H2,19,22,23)
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n/an/a 288n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12418
PNG
(BR30 | copper(2+) ion 2-[(carboxylatomethyl)({2-[(...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C13H17N3O7S/c14-24(22,23)10-3-1-9(2-4-10)13(21)15-5-6-16(7-11(17)18)8-12(19)20/h1-4H,5-8H2,(H,15,21)(H,17,18)(H,19,20)(H2,14,22,23)/p-2
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n/an/an/a 28n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM223994
PNG
(N-[4-(4-{3-[(4-Sulfamoylphenyl)formamido]propanami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCC(=O)Nc1ccc(cc1)C(=O)c1ccc(NC(=O)CCOCCOCCOCCOCCOCC#C)cc1
Show InChI InChI=1S/C37H44N4O11S/c1-2-18-48-20-22-50-24-26-52-27-25-51-23-21-49-19-16-35(43)41-32-11-5-29(6-12-32)36(44)28-3-9-31(10-4-28)40-34(42)15-17-39-37(45)30-7-13-33(14-8-30)53(38,46)47/h1,3-14H,15-27H2,(H,39,45)(H,40,42)(H,41,43)(H2,38,46,47)
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n/an/a 216n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM223995
PNG
(N-{4-[4-(4,7,10,13,16-Pentaoxanonadec-18-ynamido)b...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCC(=O)Nc2ccc(cc2)C(=O)c2ccc(NC(=O)CCOCCOCCOCCOCCOCC#C)cc2)cc1
Show InChI InChI=1S/C40H50N4O11S/c1-2-21-51-23-25-53-27-29-55-30-28-54-26-24-52-22-19-39(47)44-35-14-10-33(11-15-35)40(48)32-8-12-34(13-9-32)43-38(46)5-3-4-37(45)42-20-18-31-6-16-36(17-7-31)56(41,49)50/h1,6-17H,3-5,18-30H2,(H,42,45)(H,43,46)(H,44,47)(H2,41,49,50)
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n/an/a 502n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM223996
PNG
(N-{4-[4-(4,7,10,13,16-Pentaoxanonadec-18-ynamido)b...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CCCC(=O)Nc2ccc(cc2)C(=O)c2ccc(NC(=O)CCOCCOCCOCCOCCOCC#C)cc2)cc1
Show InChI InChI=1S/C39H48N4O11S/c1-2-19-50-21-23-52-25-27-54-28-26-53-24-22-51-20-18-38(46)43-34-14-10-32(11-15-34)39(47)31-8-12-33(13-9-31)42-37(45)5-3-4-36(44)41-29-30-6-16-35(17-7-30)55(40,48)49/h1,6-17H,3-5,18-29H2,(H,41,44)(H,42,45)(H,43,46)(H2,40,48,49)
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n/an/a 1.22E+3n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM223997
PNG
(N-{4-[4-(4,7,10,13,16-Pentaoxanonadec-18-ynamido)b...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(cc2)C(=O)c2ccc(NC(=O)CCOCCOCCOCCOCCOCC#C)cc2)cc1
Show InChI InChI=1S/C38H46N4O11S/c1-2-19-49-21-23-51-25-27-53-28-26-52-24-22-50-20-18-37(45)42-32-12-8-30(9-13-32)38(46)29-6-10-31(11-7-29)40-35(43)4-3-5-36(44)41-33-14-16-34(17-15-33)54(39,47)48/h1,6-17H,3-5,18-28H2,(H,40,43)(H,41,44)(H,42,45)(H2,39,47,48)
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n/an/a 360n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM223998
PNG
(N-{4-[4-(4,7,10,13,16-Pentaoxanonadec-18-ynamido)b...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)CCCC(=O)Nc2ccc(cc2)C(=O)c2ccc(NC(=O)CCOCCOCCOCCOCCOCC#C)cc2)c1
Show InChI InChI=1S/C38H46N4O11S/c1-2-18-49-20-22-51-24-26-53-27-25-52-23-21-50-19-17-37(45)41-32-15-11-30(12-16-32)38(46)29-9-13-31(14-10-29)40-35(43)7-4-8-36(44)42-33-5-3-6-34(28-33)54(39,47)48/h1,3,5-6,9-16,28H,4,7-8,17-27H2,(H,40,43)(H,41,45)(H,42,44)(H2,39,47,48)
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n/an/a 914n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM223999
PNG
(N-{4-[4-(4-Sulfamoylbenzamido)benzoyl]phenyl}-4,7,...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ccc(NC(=O)CCOCCOCCOCCOCCOCC#C)cc1
Show InChI InChI=1S/C34H39N3O10S/c1-2-16-43-18-20-45-22-24-47-25-23-46-21-19-44-17-15-32(38)36-29-9-3-26(4-10-29)33(39)27-5-11-30(12-6-27)37-34(40)28-7-13-31(14-8-28)48(35,41)42/h1,3-14H,15-25H2,(H,36,38)(H,37,40)(H2,35,41,42)
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n/an/a 800n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM224000
PNG
(N-[(1S)-2-[1-(4-Benzoylphenyl)-1,2,3-triazol-4-yl]...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)cc1
Show InChI InChI=1S/C40H48N6O10S/c1-2-19-52-21-23-54-25-27-56-28-26-55-24-22-53-20-17-38(47)43-37(40(49)42-18-16-31-8-14-36(15-9-31)57(41,50)51)29-34-30-46(45-44-34)35-12-10-33(11-13-35)39(48)32-6-4-3-5-7-32/h1,3-15,30,37H,16-29H2,(H,42,49)(H,43,47)(H2,41,50,51)/t37-/m0/s1
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n/an/a 604n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM224001
PNG
(N-[(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-...)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)cc1
Show InChI InChI=1S/C39H46N6O10S/c1-2-17-51-19-21-53-23-25-55-26-24-54-22-20-52-18-16-37(46)42-36(39(48)41-28-30-8-14-35(15-9-30)56(40,49)50)27-33-29-45(44-43-33)34-12-10-32(11-13-34)38(47)31-6-4-3-5-7-31/h1,3-15,29,36H,16-28H2,(H,41,48)(H,42,46)(H2,40,49,50)/t36-/m0/s1
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n/an/a 3.10E+3n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM224002
PNG
(N-[(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)cc1
Show InChI InChI=1S/C38H44N6O10S/c1-2-17-50-19-21-52-23-25-54-26-24-53-22-20-51-18-16-36(45)41-35(38(47)40-31-10-14-34(15-11-31)55(39,48)49)27-32-28-44(43-42-32)33-12-8-30(9-13-33)37(46)29-6-4-3-5-7-29/h1,3-15,28,35H,16-27H2,(H,40,47)(H,41,45)(H2,39,48,49)/t35-/m0/s1
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n/an/a 1.55E+3n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM224003
PNG
(N-{(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-...)
Show SMILES NS(=O)(=O)c1cccc(NC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)c1
Show InChI InChI=1S/C38H44N6O10S/c1-2-16-50-18-20-52-22-24-54-25-23-53-21-19-51-17-15-36(45)41-35(38(47)40-31-9-6-10-34(26-31)55(39,48)49)27-32-28-44(43-42-32)33-13-11-30(12-14-33)37(46)29-7-4-3-5-8-29/h1,3-14,26,28,35H,15-25,27H2,(H,40,47)(H,41,45)(H2,39,48,49)/t35-/m0/s1
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n/an/a 2.03E+3n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM224004
PNG
(N-{(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)[C@H](Cc2cn(nn2)-c2ccc(cc2)C(=O)c2ccccc2)NC(=O)CCOCCOCCOCCOCCOCC#C)s1
Show InChI InChI=1S/C34H40N8O10S2/c1-2-13-48-15-17-50-19-21-52-22-20-51-18-16-49-14-12-30(43)36-29(32(45)37-33-39-40-34(53-33)54(35,46)47)23-27-24-42(41-38-27)28-10-8-26(9-11-28)31(44)25-6-4-3-5-7-25/h1,3-11,24,29H,12-23H2,(H,36,43)(H2,35,46,47)(H,37,39,45)/t29-/m0/s1
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n/an/a 139n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM224005
PNG
(N-(4-{4-[3-(Phenylformamido)propanamido]benzoyl}ph...)
Show SMILES O=C(CCNC(=O)c1ccccc1)Nc1ccc(cc1)C(=O)c1ccc(NC(=O)CCOCCOCCOCCOCCOCC#C)cc1
Show InChI InChI=1S/C37H43N3O9/c1-2-19-45-21-23-47-25-27-49-28-26-48-24-22-46-20-17-35(42)40-33-14-10-30(11-15-33)36(43)29-8-12-32(13-9-29)39-34(41)16-18-38-37(44)31-6-4-3-5-7-31/h1,3-15H,16-28H2,(H,38,44)(H,39,41)(H,40,42)
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n/an/a>5.00E+6n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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Article
PubMed
n/an/an/a 4.03E+3n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12415
PNG
(BR15 | copper(2+) ion 2-[(carboxylatomethyl)[(4-{[...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CN(CC([O-])=O)CC([O-])=O)cc2)cc1
Show InChI InChI=1S/C20H23N3O7S/c21-31(29,30)17-7-3-14(4-8-17)9-10-22-20(28)16-5-1-15(2-6-16)11-23(12-18(24)25)13-19(26)27/h1-8H,9-13H2,(H,22,28)(H,24,25)(H,26,27)(H2,21,29,30)/p-2
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n/an/an/a 200n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12416
PNG
(BR22 | copper(2+) ion 2-[(carboxylatomethyl)({[(3-...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)CN(CC([O-])=O)CC([O-])=O)c2)cc1
Show InChI InChI=1S/C21H24N4O8S/c22-34(32,33)17-6-4-14(5-7-17)8-9-23-21(31)15-2-1-3-16(10-15)24-18(26)11-25(12-19(27)28)13-20(29)30/h1-7,10H,8-9,11-13H2,(H,23,31)(H,24,26)(H,27,28)(H,29,30)(H2,22,32,33)/p-2
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n/an/an/a 76n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12417
PNG
(BR17 | copper(2+) ion 2-{2-carboxylato-12-[(4-sulf...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C17H25N3O9S/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24/h1-4H,5-12H2,(H,19,25)(H,21,22)(H,23,24)(H2,18,26,27)/p-2
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n/an/an/a 230n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM12418
PNG
(BR30 | copper(2+) ion 2-[(carboxylatomethyl)({2-[(...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C13H17N3O7S/c14-24(22,23)10-3-1-9(2-4-10)13(21)15-5-6-16(7-11(17)18)8-12(19)20/h1-4H,5-8H2,(H,15,21)(H,17,18)(H,19,20)(H2,14,22,23)/p-2
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n/an/an/a 120n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
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n/an/an/a 660n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12415
PNG
(BR15 | copper(2+) ion 2-[(carboxylatomethyl)[(4-{[...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(CN(CC([O-])=O)CC([O-])=O)cc2)cc1
Show InChI InChI=1S/C20H23N3O7S/c21-31(29,30)17-7-3-14(4-8-17)9-10-22-20(28)16-5-1-15(2-6-16)11-23(12-18(24)25)13-19(26)27/h1-8H,9-13H2,(H,22,28)(H,24,25)(H,26,27)(H2,21,29,30)/p-2
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n/an/an/a 235n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12416
PNG
(BR22 | copper(2+) ion 2-[(carboxylatomethyl)({[(3-...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(NC(=O)CN(CC([O-])=O)CC([O-])=O)c2)cc1
Show InChI InChI=1S/C21H24N4O8S/c22-34(32,33)17-6-4-14(5-7-17)8-9-23-21(31)15-2-1-3-16(10-15)24-18(26)11-25(12-19(27)28)13-20(29)30/h1-7,10H,8-9,11-13H2,(H,23,31)(H,24,26)(H,27,28)(H,29,30)(H2,22,32,33)/p-2
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n/an/an/a 80n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12417
PNG
(BR17 | copper(2+) ion 2-{2-carboxylato-12-[(4-sulf...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCN(CC([O-])=O)CC([O-])=O
Show InChI InChI=1S/C17H25N3O9S/c18-30(26,27)14-3-1-13(2-4-14)17(25)19-5-7-28-9-10-29-8-6-20(11-15(21)22)12-16(23)24/h1-4H,5-12H2,(H,19,25)(H,21,22)(H,23,24)(H2,18,26,27)/p-2
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n/an/an/a 27n/an/an/a7.025



University of Pennsylvania



Assay Description
The dissociation constant of the hCA and inhibitor complex was determined by competitive displacement of a fixed concentration of dansylamide by incr...


J Am Chem Soc 128: 3011-8 (2006)


Article DOI: 10.1021/ja057257n
BindingDB Entry DOI: 10.7270/Q2RR1WGF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM224007
PNG
(N-[(1S)-2-[1-(4-Benzoylphenyl)-1H-1,2,3-triazol-4-...)
Show SMILES CCCOCCOCCOC#COCCOCCC(=O)N[C@@H](Cc1cn(nn1)-c1ccc(cc1)C(=O)c1ccccc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C38H43N5O8/c1-2-18-47-20-22-49-24-26-51-27-25-50-23-21-48-19-17-36(44)40-35(38(46)39-32-11-7-4-8-12-32)28-33-29-43(42-41-33)34-15-13-31(14-16-34)37(45)30-9-5-3-6-10-30/h3-16,29,35H,2,17-24,26,28H2,1H3,(H,39,46)(H,40,44)/t35-/m0/s1
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n/an/a>5.00E+6n/an/an/an/a7.025



Griffith University



Assay Description
The assay was performed according to a previously reported protocol.[Banerjee et al., Biochemistry, 44:3673-3682] DNSA stock solution was prepared at...


Chembiochem 18: 739-754 (2017)


Article DOI: 10.1002/cbic.201600598
BindingDB Entry DOI: 10.7270/Q2CZ361R
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11390
PNG
(2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...)
Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3cccc(O)c3)S(=O)(=O)c2s1
Show InChI InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23)
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n/an/a 1.15n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11391
PNG
(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
Show SMILES COc1cccc(c1)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23)
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n/an/a 1.27n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11392
PNG
((4R)-4-amino-2-(3-methoxypropyl)-1,1-dioxo-2H,3H,4...)
Show SMILES COCCCN1C[C@H](N)c2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C10H17N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5,8H,2-4,6,11H2,1H3,(H2,12,14,15)/t8-/m0/s1
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n/an/a 1.28n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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n/an/a 3.20n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11393
PNG
(2-[2-[Bis(2-methoxyethyl)amino]ethyl]-2H-thieno[3,...)
Show SMILES COCCN(CCOC)CCN1C=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C14H23N3O6S3/c1-22-9-7-16(8-10-23-2)5-6-17-4-3-12-11-13(25(15,18)19)24-14(12)26(17,20)21/h3-4,11H,5-10H2,1-2H3,(H2,15,18,19)
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n/an/a 0.910n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11394
PNG
(2-[2-(4-Morpholinyl)ethyl]-2H-thieno[3,2-e]-1,2-th...)
Show SMILES NS(=O)(=O)c1cc2C=CN(CCN3CCOCC3)S(=O)(=O)c2s1
Show InChI InChI=1S/C12H17N3O5S3/c13-22(16,17)11-9-10-1-2-15(23(18,19)12(10)21-11)4-3-14-5-7-20-8-6-14/h1-2,9H,3-8H2,(H2,13,16,17)
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n/an/a 0.820n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11401
PNG
(2-Ethyl-3-[[bis(2-methoxyethyl)amino]methyl]-2H-th...)
Show SMILES CCN1C(CN(CCOC)CCOC)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C15H25N3O6S3/c1-4-18-13(11-17(5-7-23-2)6-8-24-3)9-12-10-14(26(16,19)20)25-15(12)27(18,21)22/h9-10H,4-8,11H2,1-3H3,(H2,16,19,20)
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n/an/a 1.04n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11396
PNG
(1,1-dioxo-2-[2-(propylamino)ethyl]-2H-1,7,2-thieno...)
Show SMILES CCCNCCN1C=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C11H17N3O4S3/c1-2-4-13-5-7-14-6-3-9-8-10(20(12,15)16)19-11(9)21(14,17)18/h3,6,8,13H,2,4-5,7H2,1H3,(H2,12,15,16)
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n/an/a 2.25n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11397
PNG
(2-Methyl-3-(4-morpholinylmethyl)-2H-thieno[3,2-e]-...)
Show SMILES CN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C12H17N3O5S3/c1-14-10(8-15-2-4-20-5-3-15)6-9-7-11(22(13,16)17)21-12(9)23(14,18)19/h6-7H,2-5,8H2,1H3,(H2,13,16,17)
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n/an/a 1.66n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11398
PNG
(2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...)
Show SMILES COCCN(C)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O
Show InChI InChI=1S/C12H19N3O5S3/c1-14(4-5-20-3)8-10-6-9-7-11(22(13,16)17)21-12(9)23(18,19)15(10)2/h6-7H,4-5,8H2,1-3H3,(H2,13,16,17)
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n/an/a 1.17n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11399
PNG
(2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...)
Show SMILES COCCN(CC=C)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O
Show InChI InChI=1S/C14H21N3O5S3/c1-4-5-17(6-7-22-3)10-12-8-11-9-13(24(15,18)19)23-14(11)25(20,21)16(12)2/h4,8-9H,1,5-7,10H2,2-3H3,(H2,15,18,19)
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n/an/a 1.11n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11400
PNG
(2-Ethyl-3-[(4-morpholinyl)methyl]-2H-thieno[3,2-e]...)
Show SMILES CCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H19N3O5S3/c1-2-16-11(9-15-3-5-21-6-4-15)7-10-8-12(23(14,17)18)22-13(10)24(16,19)20/h7-8H,2-6,9H2,1H3,(H2,14,17,18)
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n/an/a 1.11n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11395
PNG
(2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,1-dioxo-2H-1...)
Show SMILES CC(=O)N1CCN(CCN2C=Cc3cc(sc3S2(=O)=O)S(N)(=O)=O)CC1
Show InChI InChI=1S/C14H20N4O5S3/c1-11(19)17-7-4-16(5-8-17)6-9-18-3-2-12-10-13(25(15,20)21)24-14(12)26(18,22)23/h2-3,10H,4-9H2,1H3,(H2,15,20,21)
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n/an/a 0.960n/an/an/an/a7.24



Alcon Research, Ltd.



Assay Description
The assay measured the rate of CO2 hydration by determining the addition rate of a NaOH solution using a Radiometer VIT 90 titration system. The enzy...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11404
PNG
(2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...)
Show SMILES COCCCN(CCOC)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O
Show InChI InChI=1S/C15H25N3O6S3/c1-17-13(11-18(6-8-24-3)5-4-7-23-2)9-12-10-14(26(16,19)20)25-15(12)27(17,21)22/h9-10H,4-8,11H2,1-3H3,(H2,16,19,20)
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PubMed
0.0800 -59.9n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11399
PNG
(2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...)
Show SMILES COCCN(CC=C)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O
Show InChI InChI=1S/C14H21N3O5S3/c1-4-5-17(6-7-22-3)10-12-8-11-9-13(24(15,18)19)23-14(11)25(20,21)16(12)2/h4,8-9H,1,5-7,10H2,2-3H3,(H2,15,18,19)
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0.100 -59.4n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10885
PNG
((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...)
Show SMILES CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1
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PubMed
0.130 -58.7n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11390
PNG
(2-(3-Hydroxyphenyl)-3-(4-morpholinylmethyl)-2H-thi...)
Show SMILES NS(=O)(=O)c1cc2C=C(CN3CCOCC3)N(c3cccc(O)c3)S(=O)(=O)c2s1
Show InChI InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23)
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Article
PubMed
0.150 -58.3n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11391
PNG
(2-(3-Methoxyphenyl)-3-[(4-morpholinyl)methyl]-2H-t...)
Show SMILES COc1cccc(c1)N1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23)
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Article
PubMed
0.150 -58.3n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11398
PNG
(2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-di...)
Show SMILES COCCN(C)CC1=Cc2cc(sc2S(=O)(=O)N1C)S(N)(=O)=O
Show InChI InChI=1S/C12H19N3O5S3/c1-14(4-5-20-3)8-10-6-9-7-11(22(13,16)17)21-12(9)23(18,19)15(10)2/h6-7H,4-5,8H2,1-3H3,(H2,13,16,17)
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0.150 -58.3n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM14722
PNG
(1-N-[5-Sulfamoyl-1,3,4-thiadiazol-2-yl-(aminosulfo...)
Show SMILES Cc1cc(cc(C)[n+]1-c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C21H20N5O4S3/c1-14-12-17(16-6-4-3-5-7-16)13-15(2)26(14)18-8-10-19(11-9-18)33(29,30)25-20-23-24-21(31-20)32(22,27)28/h3-13H,1-2H3,(H,23,25)(H2,22,27,28)/q+1
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PubMed
0.200 -54.4n/an/an/an/an/a7.420



Università degli Studi di Firenze



Assay Description
The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ...


J Enzyme Inhib Med Chem 19: 269-73 (2004)


Article DOI: 10.1080/14756360410001689559
BindingDB Entry DOI: 10.7270/Q20C4TBB
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11400
PNG
(2-Ethyl-3-[(4-morpholinyl)methyl]-2H-thieno[3,2-e]...)
Show SMILES CCN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C13H19N3O5S3/c1-2-16-11(9-15-3-5-21-6-4-15)7-10-8-12(23(14,17)18)22-13(10)24(16,19)20/h7-8H,2-6,9H2,1H3,(H2,14,17,18)
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PubMed
0.210 -57.5n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11401
PNG
(2-Ethyl-3-[[bis(2-methoxyethyl)amino]methyl]-2H-th...)
Show SMILES CCN1C(CN(CCOC)CCOC)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C15H25N3O6S3/c1-4-18-13(11-17(5-7-23-2)6-8-24-3)9-12-10-14(26(16,19)20)25-15(12)27(18,21)22/h9-10H,4-8,11H2,1-3H3,(H2,16,19,20)
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PubMed
0.210 -57.5n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11403
PNG
(2-[(2E)-4-(morpholin-4-yl)but-2-en-1-yl]-1,1-dioxo...)
Show SMILES NS(=O)(=O)c1cc2C=CN(C\C=C\CN3CCOCC3)S(=O)(=O)c2s1
Show InChI InChI=1S/C14H19N3O5S3/c15-24(18,19)13-11-12-3-6-17(25(20,21)14(12)23-13)5-2-1-4-16-7-9-22-10-8-16/h1-3,6,11H,4-5,7-10H2,(H2,15,18,19)/b2-1+
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PubMed
0.240 -57.1n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11395
PNG
(2-[2-(4-acetylpiperazin-1-yl)ethyl]-1,1-dioxo-2H-1...)
Show SMILES CC(=O)N1CCN(CCN2C=Cc3cc(sc3S2(=O)=O)S(N)(=O)=O)CC1
Show InChI InChI=1S/C14H20N4O5S3/c1-11(19)17-7-4-16(5-8-17)6-9-18-3-2-12-10-13(25(15,20)21)24-14(12)26(18,22)23/h2-3,10H,4-9H2,1H3,(H2,15,20,21)
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PubMed
0.25 -57.0n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11397
PNG
(2-Methyl-3-(4-morpholinylmethyl)-2H-thieno[3,2-e]-...)
Show SMILES CN1C(CN2CCOCC2)=Cc2cc(sc2S1(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C12H17N3O5S3/c1-14-10(8-15-2-4-20-5-3-15)6-9-7-11(22(13,16)17)21-12(9)23(14,18)19/h6-7H,2-5,8H2,1H3,(H2,13,16,17)
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PubMed
0.260 -56.9n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11394
PNG
(2-[2-(4-Morpholinyl)ethyl]-2H-thieno[3,2-e]-1,2-th...)
Show SMILES NS(=O)(=O)c1cc2C=CN(CCN3CCOCC3)S(=O)(=O)c2s1
Show InChI InChI=1S/C12H17N3O5S3/c13-22(16,17)11-9-10-1-2-15(23(18,19)12(10)21-11)4-3-14-5-7-20-8-6-14/h1-2,9H,3-8H2,(H2,13,16,17)
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PubMed
0.320 -56.4n/an/an/an/an/a7.437



Alcon Research, Ltd.



Assay Description
Inhibitor binding to CA II was determined using a fluorescence competition assay. Displacement of dansylamide and binding of the inhibitor was determ...


Bioorg Med Chem 8: 957-75 (2000)


Article DOI: 10.1016/j.bmc.2009.03.013
BindingDB Entry DOI: 10.7270/Q23B5XC0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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