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Compile Data Set for Download or QSAR

Found 41 hits of ph data with Target = 'Carbonic Anhydrase (mtCA 1)'   
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 (mtCA 1)


(Mycobacterium tuberculosis)
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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120 -39.5n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
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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140 -39.1n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10864
PNG
(4-Amino-3-bromobenzenesulfonamide | 4-amino-3-brom...)
Show SMILES Nc1ccc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C6H7BrN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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186 -37.8n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
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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290 -37.3n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM11611
PNG
(β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...)
Show SMILES Nc1c(Br)cc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C6H6Br2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
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410 -36.5n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
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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481 -35.5n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM11609
PNG
(β-CA inhibitor, 8 | 4-Amino-5-bromo-3-chlorob...)
Show SMILES Nc1c(Cl)cc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C6H6BrClN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
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580 -35.6n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
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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612 -34.9n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10871
PNG
(4-amino-N-[(4-sulfamoylphenyl)methyl]benzene-1-sul...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
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612 -34.9n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
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
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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744 -34.4n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10873
PNG
(4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...)
Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1
Show InChI InChI=1S/C10H11N5O2S/c11-10-13-6-5-9(15-10)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)
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750 -34.4n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10881
PNG
(CHEMBL288100 | METHAZOLAMIDE | MZA3 | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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781 -34.3n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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810 -34.2n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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810 -34.8n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
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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839 -34.1n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10872
PNG
(4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O4S2/c15-12-3-7-14(8-4-12)23(20,21)17-10-9-11-1-5-13(6-2-11)22(16,18)19/h1-8,17H,9-10,15H2,(H2,16,18,19)
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853 -34.1n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10883
PNG
(4,5-dichlorobenzene-1,3-disulfonamide | CHEMBL17 |...)
Show SMILES NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
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872 -34.0n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
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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905 -33.9n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM11606
PNG
(β-CA inhibitor, 5 | 4-Amino-5-bromo-3-fluorob...)
Show SMILES Nc1c(F)cc(cc1Br)S(N)(=O)=O
Show InChI InChI=1S/C6H6BrFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
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940 -34.4n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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1.03E+3 -33.6n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM11605
PNG
(β-CA inhibitor, 4 | 4-Amino-5-chloro-3-fluoro...)
Show SMILES Nc1c(F)cc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C6H6ClFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
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1.17E+3 -33.9n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM11607
PNG
(β-CA inhibitor, 6 | 4-Amino-3-fluoro-5-iodobe...)
Show SMILES Nc1c(F)cc(cc1I)S(N)(=O)=O
Show InChI InChI=1S/C6H6FIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
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1.22E+3 -33.8n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM11608
PNG
(β-CA inhibitor, 7 | 4-Amino-3,5-dichlorobenze...)
Show SMILES Nc1c(Cl)cc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
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1.26E+3 -33.7n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM11610
PNG
(β-CA inhibitor, 9 | 4-Amino-3-chloro-5-iodobe...)
Show SMILES Nc1c(Cl)cc(cc1I)S(N)(=O)=O
Show InChI InChI=1S/C6H6ClIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)
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1.27E+3 -33.7n/an/an/an/an/a8.325



UniversitÓ degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 384-7 (2013)


Article DOI: 10.3109/14756366.2011.645539
BindingDB Entry DOI: 10.7270/Q28C9V4F
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10867
PNG
(4-amino-6-chlorobenzene-1,3-disulfonamide | CHEMBL...)
Show SMILES Nc1cc(Cl)c(cc1S(N)(=O)=O)S(N)(=O)=O
Show InChI InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
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1.72E+3 -32.4n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10859
PNG
(4-methylbenzene-1-sulfonamide | CHEMBL574 | aromat...)
Show SMILES Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
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4.92E+3 -29.8n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10877
PNG
(4-(2-hydroxyethyl)benzene-1-sulfonamide | CHEMBL67...)
Show SMILES NS(=O)(=O)c1ccc(CCO)cc1
Show InChI InChI=1S/C8H11NO3S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6H2,(H2,9,11,12)
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5.51E+3 -29.5n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10875
PNG
(5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...)
Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl
Show InChI InChI=1S/C8H6ClN3O2S2/c9-6-4-2-1-3-5(6)7-11-12-8(15-7)16(10,13)14/h1-4H,(H2,10,13,14)
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7.48E+3 -28.8n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10863
PNG
(4-Amino-3-chlorobenzenesulfonamide | 4-amino-3-chl...)
Show SMILES Nc1ccc(cc1Cl)S(N)(=O)=O
Show InChI InChI=1S/C6H7ClN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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7.52E+3 -28.8n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10865
PNG
(4-Amino-3-iodobenzenesulfonamide | 4-amino-3-iodob...)
Show SMILES Nc1ccc(cc1I)S(N)(=O)=O
Show InChI InChI=1S/C6H7IN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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7.71E+3 -28.7n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM29277
PNG
(CHEMBL451332 | sulfonamide, 3)
Show SMILES NS(=O)(=O)c1ccc(CCC(O)=O)cc1
Show InChI InChI=1S/C9H11NO4S/c10-15(13,14)8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)(H2,10,13,14)
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7.93E+3 -28.6n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10866
PNG
(4-amino-6-(trifluoromethyl)benzene-1,3-disulfonami...)
Show SMILES Nc1cc(c(cc1S(N)(=O)=O)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C7H8F3N3O4S2/c8-7(9,10)3-1-4(11)6(19(13,16)17)2-5(3)18(12,14)15/h1-2H,11H2,(H2,12,14,15)(H2,13,16,17)
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8.10E+3 -28.6n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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8.21E+3 -28.5n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10860
PNG
(4-(aminomethyl)benzene-1-sulfonamide | CHEMBL419 |...)
Show SMILES NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
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8.69E+3 -28.4n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10862
PNG
(4-Amino-3-fluorobenzenesulfonamide | 4-amino-3-flu...)
Show SMILES Nc1ccc(cc1F)S(N)(=O)=O
Show InChI InChI=1S/C6H7FN2O2S/c7-5-3-4(12(9,10)11)1-2-6(5)8/h1-3H,8H2,(H2,9,10,11)
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8.74E+3 -28.4n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10855
PNG
(2-aminobenzene-1-sulfonamide | CHEMBL6705 | aromat...)
Show SMILES Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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9.23E+3 -28.3n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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9.56E+3 -28.2n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10876
PNG
(4-(hydroxymethyl)benzene-1-sulfonamide | CHEMBL691...)
Show SMILES NS(=O)(=O)c1ccc(CO)cc1
Show InChI InChI=1S/C7H9NO3S/c8-12(10,11)7-3-1-6(5-9)2-4-7/h1-4,9H,5H2,(H2,8,10,11)
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9.56E+3 -28.2n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10857
PNG
(4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...)
Show SMILES Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
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9.84E+3 -28.1n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10868
PNG
(1,3,4-Thiadiazole-2-sulfonamide, 6 | 1,3,4-thiadia...)
Show SMILES Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
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1.15E+4 -27.7n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM10869
PNG
(5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...)
Show SMILES Cn1nc(sc1=N)S(N)(=O)=O
Show InChI InChI=1S/C3H6N4O2S2/c1-7-2(4)10-3(6-7)11(5,8)9/h4H,1H3,(H2,5,8,9)
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1.27E+4 -27.5n/an/an/an/an/a8.320



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 52: 2226-32 (2009)


Article DOI: 10.1021/jm9000488
BindingDB Entry DOI: 10.7270/Q24Q7SBR
More data for this
Ligand-Target Pair