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Compile Data Set for Download or QSAR

Found 11 hits of ph data with Target = 'β-Carbonic anhydrase 3 (CA 3)'   
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
β-Carbonic anhydrase 3 (CA 3)


(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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UniChem

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Article
PubMed
170 -38.6n/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
β-Carbonic anhydrase 3 (CA 3)


(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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UniChem

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Article
PubMed
270 -37.5n/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
β-Carbonic anhydrase 3 (CA 3)


(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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Article
PubMed
300 -37.2n/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
β-Carbonic anhydrase 3 (CA 3)


(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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Article
PubMed
340 -36.9n/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
β-Carbonic anhydrase 3 (CA 3)


(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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UniChem

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Article
PubMed
2.03E+3 -32.5n/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
β-Carbonic anhydrase 3 (CA 3)


(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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Article
PubMed
2.66E+3 -31.8n/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
β-Carbonic anhydrase 3 (CA 3)


(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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UniChem
Article
PubMed
2.67E+3 -31.8n/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
β-Carbonic anhydrase 3 (CA 3)


(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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PubMed
2.69E+3 -31.8n/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
β-Carbonic anhydrase 3 (CA 3)


(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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UniChem
Article
PubMed
2.79E+3 -31.7n/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
β-Carbonic anhydrase 3 (CA 3)


(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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Article
PubMed
3.02E+3 -31.5n/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
β-Carbonic anhydrase 3 (CA 3)


(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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Article
PubMed
3.19E+3 -31.4n/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