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Compile Data Set for Download or QSAR

Found 401 hits of Enz. Inhib. data with enzyme = 'Carbonic anhydrase 2' and Substrate = 'BDBM10856'   
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))
BDBM11626
PNG
(β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...)
Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.200n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11625
PNG
(2-N-(4-amino-3-chloro-5-fluorobenzene)-1,3,4-thiad...)
Show SMILES Nc1c(F)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.300n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11627
PNG
(β-CA inhibitor, 3 | 2-N-(4-amino-3-fluoro-5-i...)
Show SMILES Nc1c(F)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7FIN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.300n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11631
PNG
(2-N-(4-amino-3,5-dibromobenzene)-1,3,4-thiadiazole...)
Show SMILES Nc1c(Br)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7Br2N5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.5n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11628
PNG
(2-N-(4-amino-3,5-dichlorobenzene)-1,3,4-thiadiazol...)
Show SMILES Nc1c(Cl)cc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7Cl2N5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.5n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11624
PNG
(2-N-(4-amino-3-iodobenzene)-1,3,4-thiadiazole-2,5-...)
Show SMILES Nc1ccc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8IN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
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0.600n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11632
PNG
(2-N-(4-amino-3-bromo-5-iodobenzene)-1,3,4-thiadiaz...)
Show SMILES Nc1c(Br)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrIN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.600n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11629
PNG
(2-N-(4-amino-3-bromo-5-chlorobenzene)-1,3,4-thiadi...)
Show SMILES Nc1c(Cl)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7BrClN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.600n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11622
PNG
(β-CA inhibitor, 1 | 2-N-(4-amino-3-chlorobenz...)
Show SMILES Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8ClN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
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0.600n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11623
PNG
(2-N-(4-amino-3-bromobenzene)-1,3,4-thiadiazole-2,5...)
Show SMILES Nc1ccc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8BrN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
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0.700n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM33280
PNG
(CHEMBL153094 | aliphatic sulfamate, 2)
Show SMILES CCCCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)
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0.700 -12.4n/an/an/an/an/a7.523



CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 52: 5990-8 (2009)


Article DOI: 10.1021/jm900641r
BindingDB Entry DOI: 10.7270/Q2GF0RVR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11630
PNG
(2-N-(4-amino-3-chloro-5-iodobenzene)-1,3,4-thiadia...)
Show SMILES Nc1c(Cl)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7ClIN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.800n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11621
PNG
(2-N-(4-amino-3-fluorobenzene)-1,3,4-thiadiazole-2,...)
Show SMILES Nc1ccc(cc1F)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H8FN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
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0.800n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11633
PNG
(2-N-(4-amino-3,5-diiodobenzene)-1,3,4-thiadiazole-...)
Show SMILES Nc1c(I)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H7I2N5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
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0.900n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11031
PNG
(2-propyl-N-(5-sulfamoyl-2,3-dihydro-1H-inden-2-yl)...)
Show SMILES CCCC(CCC)C(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)
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0.900n/an/an/an/an/an/an/an/a



University of Namur



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11029
PNG
(2-acetamido-5-sulfonamidoindane | CHEMBL184674 | I...)
Show SMILES CC(=O)NC1Cc2ccc(cc2C1)S(N)(=O)=O
Show InChI InChI=1S/C11H14N2O3S/c1-7(14)13-10-4-8-2-3-11(17(12,15)16)6-9(8)5-10/h2-3,6,10H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
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1n/an/an/an/an/an/an/an/a



University of Namur



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11616
PNG
(5-(4-Acetamido-3-fluorobenzenesulfonamido)-1,3,4-t...)
Show SMILES CC(=O)Nc1ccc(cc1F)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10FN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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1.20n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11030
PNG
(1-valproylamido-5-sulfonamidoindane | 2-propyl-N-(...)
Show SMILES CCCC(CCC)C(=O)NC1CCc2cc(ccc12)S(N)(=O)=O
Show InChI InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-16-10-7-13-11-14(23(18,21)22)8-9-15(13)16/h8-9,11-12,16H,3-7,10H2,1-2H3,(H,19,20)(H2,18,21,22)
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1.20n/an/an/an/an/an/an/an/a



University of Namur



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11617
PNG
(5-(4-Acetamido-3-chlorobenzenesulfonamido)-1,3,4-t...)
Show SMILES CC(=O)Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10ClN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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1.30n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11636
PNG
(CHEMBL309431 | N-[2-(diethylamino)ethyl]-4-[(5-sul...)
Show SMILES CCN(CC)CCNC(=O)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C15H22N6O5S3/c1-3-21(4-2)10-9-17-13(22)11-5-7-12(8-6-11)29(25,26)20-14-18-19-15(27-14)28(16,23)24/h5-8H,3-4,9-10H2,1-2H3,(H,17,22)(H,18,20)(H2,16,23,24)
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1.40 -11.9n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 5721-7 (2005)


Article DOI: 10.1021/jm050333c
BindingDB Entry DOI: 10.7270/Q2ST7N2F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11618
PNG
(5-(4-Acetamido-3-bromobenzenesulfonamido)-1,3,4-th...)
Show SMILES CC(=O)Nc1ccc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10BrN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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1.5n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11634
PNG
(2,3,4,5,6-pentafluoro-N-(3-methyl-5-sulfamoyl-2,3-...)
Show SMILES Cn1nc(sc1=NC(=O)c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C10H5F5N4O3S2/c1-19-9(23-10(18-19)24(16,21)22)17-8(20)2-3(11)5(13)7(15)6(14)4(2)12/h1H3,(H2,16,21,22)
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1.5 -11.9n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 5721-7 (2005)


Article DOI: 10.1021/jm050333c
BindingDB Entry DOI: 10.7270/Q2ST7N2F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11619
PNG
(5-(4-Acetamido-3-iodobenzenesulfonamido)-1,3,4-thi...)
Show SMILES CC(=O)Nc1ccc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H10IN5O5S3/c1-5(17)13-8-3-2-6(4-7(8)11)24(20,21)16-9-14-15-10(22-9)23(12,18)19/h2-4H,1H3,(H,13,17)(H,14,16)(H2,12,18,19)
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1.70n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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2n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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2n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 7860-6 (2005)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q2902200
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10870
PNG
(2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
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2.10n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM33279
PNG
(CHEMBL24261 | aliphatic sulfamate, 1)
Show SMILES CCCCCCCCOS(N)(=O)=O
Show InChI InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11)
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2.60 -11.6n/an/an/an/an/a7.523



CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 52: 5990-8 (2009)


Article DOI: 10.1021/jm900641r
BindingDB Entry DOI: 10.7270/Q2GF0RVR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM13056
PNG
((4S)-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-/m1/s1
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3 -11.5n/an/an/an/an/a7.522



Universite Montpellier II



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 7024-31 (2006)


Article DOI: 10.1021/jm060807n
BindingDB Entry DOI: 10.7270/Q24T6GKT
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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3n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 2121-5 (2005)


Article DOI: 10.1021/jm0494826
BindingDB Entry DOI: 10.7270/Q25X275C
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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3n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 7860-6 (2005)


Article DOI: 10.1021/jm050483n
BindingDB Entry DOI: 10.7270/Q2902200
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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3n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
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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3n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)


Article DOI: 10.1021/jm0512600
BindingDB Entry DOI: 10.7270/Q2ZS2TQB
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11615
PNG
(N-{4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl...)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C10H11N5O5S3/c1-6(16)12-7-2-4-8(5-3-7)23(19,20)15-9-13-14-10(21-9)22(11,17)18/h2-5H,1H3,(H,12,16)(H,13,15)(H2,11,17,18)
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3.10n/an/an/an/an/an/an/an/a



University of Agricultural Sciences and Veterinary Medicine



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 46: 2187-96 (2003)


Article DOI: 10.1021/jm021123s
BindingDB Entry DOI: 10.7270/Q2XK8CR9
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM15231
PNG
(4-[4-({[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymeth...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1
Show InChI InChI=1S/C14H18N4O7S/c15-26(22,23)10-3-1-9(2-4-10)18-5-8(16-17-18)7-24-14-13(21)12(20)11(6-19)25-14/h1-5,11-14,19-21H,6-7H2,(H2,15,22,23)/t11-,12-,13-,14-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11635
PNG
(4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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5 -11.2n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 5721-7 (2005)


Article DOI: 10.1021/jm050333c
BindingDB Entry DOI: 10.7270/Q2ST7N2F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10887
PNG
(Sulfamate 7 | Topiramate (TPM) | [(1R,2S,6S,9R)-4,...)
Show SMILES CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
Show InChI InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1
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5 -11.2n/an/an/an/an/a7.522



Istituto di Biostrutture e Bioimmagini-CNR



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 5721-7 (2005)


Article DOI: 10.1021/jm050333c
BindingDB Entry DOI: 10.7270/Q2ST7N2F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12140
PNG
(4-(N-(4-nitrophenyl)aminocarbonyl-hydrazinocarbony...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H13N5O6S/c15-26(24,25)12-7-1-9(2-8-12)13(20)17-18-14(21)16-10-3-5-11(6-4-10)19(22)23/h1-8H,(H,17,20)(H2,15,24,25)(H2,16,18,21)
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5.10n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 2121-5 (2005)


Article DOI: 10.1021/jm0494826
BindingDB Entry DOI: 10.7270/Q25X275C
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12929
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H18N4O8S/c16-28(24,25)10-3-1-8(2-4-10)15(23)27-6-9-5-19(18-17-9)14-13(22)12(21)11(20)7-26-14/h1-5,11-14,20-22H,6-7H2,(H2,16,24,25)/t11-,12-,13+,14-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11035
PNG
(2,3,4,5,6-pentafluoro-N-(5-sulfamoyl-2,3-dihydro-1...)
Show SMILES NS(=O)(=O)c1ccc2CC(Cc2c1)NC(=O)c1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C16H11F5N2O3S/c17-11-10(12(18)14(20)15(21)13(11)19)16(24)23-8-3-6-1-2-9(27(22,25)26)5-7(6)4-8/h1-2,5,8H,3-4H2,(H,23,24)(H2,22,25,26)
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6.70n/an/an/an/an/an/an/an/a



University of Namur



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2743-9 (2006)


Article DOI: 10.1021/jm0600287
BindingDB Entry DOI: 10.7270/Q25B00PK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM15224
PNG
(4-(4-{[(2,3,4,6-tetra-O-acetyl-beta-D-galactopyran...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](OCc2cn(nn2)-c2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C23H28N4O12S/c1-12(28)34-11-19-20(36-13(2)29)21(37-14(3)30)22(38-15(4)31)23(39-19)35-10-16-9-27(26-25-16)17-5-7-18(8-6-17)40(24,32)33/h5-9,19-23H,10-11H2,1-4H3,(H2,24,32,33)/t19-,20+,21+,22-,23-/m1/s1
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6.80 -11.1n/an/an/an/an/a7.525



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12924
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4,...)
Show SMILES CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C24H28N4O13S/c1-12(29)36-11-19-20(38-13(2)30)21(39-14(3)31)22(40-15(4)32)23(41-19)28-9-17(26-27-28)10-37-24(33)16-5-7-18(8-6-16)42(25,34)35/h5-9,19-23H,10-11H2,1-4H3,(H2,25,34,35)/t19-,20+,21+,22-,23-/m1/s1
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6.80n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM15230
PNG
(4-[4-({[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}m...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COC2OC[C@@H](O)[C@@H](O)[C@@H]2O)nn1
Show InChI InChI=1S/C14H18N4O7S/c15-26(22,23)10-3-1-9(2-4-10)18-5-8(16-17-18)6-24-14-13(21)12(20)11(19)7-25-14/h1-5,11-14,19-21H,6-7H2,(H2,15,22,23)/t11-,12-,13+,14?/m1/s1
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6.90n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 50: 1651-7 (2007)


Article DOI: 10.1021/jm061320h
BindingDB Entry DOI: 10.7270/Q2668BFJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM25918
PNG
(2-(hydrazinecarbonyl)-3-(2,3,4,5,6-pentafluorophen...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1c(F)c(F)c(F)c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C15H9F5N4O3S/c16-9-8(10(17)12(19)13(20)11(9)18)7-5-3-4(28(22,26)27)1-2-6(5)23-14(7)15(25)24-21/h1-3,23H,21H2,(H,24,25)(H2,22,26,27)
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7 -11.1n/an/an/an/an/a7.425



Istanbul University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 16: 9113-20 (2008)


Article DOI: 10.1016/j.bmc.2008.09.032
BindingDB Entry DOI: 10.7270/Q2ZW1J7D
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12936
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4-...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C23H26N4O13S/c1-11(28)37-17-18(38-12(2)29)20(23(32)35-4)40-21(19(17)39-13(3)30)27-9-15(25-26-27)10-36-22(31)14-5-7-16(8-6-14)41(24,33)34/h5-9,17-21H,10H2,1-4H3,(H2,24,33,34)/t17-,18-,19+,20-,21+/m0/s1
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7n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12921
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N4O9S/c17-30(26,27)10-3-1-8(2-4-10)16(25)28-7-9-5-20(19-18-9)15-14(24)13(23)12(22)11(6-21)29-15/h1-5,11-15,21-24H,6-7H2,(H2,17,26,27)/t11-,12-,13+,14-,15-/m1/s1
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7n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12937
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C17H20N4O10S/c1-29-17(26)14-12(23)11(22)13(24)15(31-14)21-6-9(19-20-21)7-30-16(25)8-2-4-10(5-3-8)32(18,27)28/h2-6,11-15,22-24H,7H2,1H3,(H2,18,27,28)/t11-,12-,13+,14-,15+/m0/s1
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7.20n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM25904
PNG
(2-(hydrazinecarbonyl)-3-phenyl-1H-indole-5-sulfona...)
Show SMILES NNC(=O)c1[nH]c2ccc(cc2c1-c1ccccc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O3S/c16-19-15(20)14-13(9-4-2-1-3-5-9)11-8-10(23(17,21)22)6-7-12(11)18-14/h1-8,18H,16H2,(H,19,20)(H2,17,21,22)
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7.20 -11.1n/an/an/an/an/a7.425



Istanbul University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


Bioorg Med Chem 16: 9113-20 (2008)


Article DOI: 10.1016/j.bmc.2008.09.032
BindingDB Entry DOI: 10.7270/Q2ZW1J7D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12141
PNG
(4-(N-(4-bromophenyl)aminocarbonyl-hydrazinocarbony...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C14H13BrN4O4S/c15-10-3-5-11(6-4-10)17-14(21)19-18-13(20)9-1-7-12(8-2-9)24(16,22)23/h1-8H,(H,18,20)(H2,16,22,23)(H2,17,19,21)
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7.30n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 2121-5 (2005)


Article DOI: 10.1021/jm0494826
BindingDB Entry DOI: 10.7270/Q25X275C
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12941
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(beta-D...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)OCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C22H30N4O14S/c23-41(35,36)11-3-1-9(2-4-11)21(34)37-8-10-5-26(25-24-10)20-17(32)16(31)19(13(7-28)38-20)40-22-18(33)15(30)14(29)12(6-27)39-22/h1-5,12-20,22,27-33H,6-8H2,(H2,23,35,36)/t12-,13-,14-,15+,16-,17-,18-,19-,20-,22-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM12928
PNG
(4-({[4-(Aminosulfonyl)benzoyl]oxy}methyl-1-(2,3,4-...)
Show SMILES CC(=O)O[C@@H]1CO[C@H]([C@@H](OC(C)=O)[C@@H]1OC(C)=O)n1cc(COC(=O)c2ccc(cc2)S(N)(=O)=O)nn1
Show InChI InChI=1S/C21H24N4O11S/c1-11(26)34-17-10-32-20(19(36-13(3)28)18(17)35-12(2)27)25-8-15(23-24-25)9-33-21(29)14-4-6-16(7-5-14)37(22,30)31/h4-8,17-20H,9-10H2,1-3H3,(H2,22,30,31)/t17-,18-,19+,20-/m1/s1
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7.30n/an/an/an/an/an/an/an/a



Griffith University



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 6539-48 (2006)


Article DOI: 10.1021/jm060967z
BindingDB Entry DOI: 10.7270/Q2X928HW
More data for this
Ligand-Target Pair
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