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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase VB' and Ligand = 'BDBM25904'   
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 VB


(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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1.10E+3n/an/an/an/an/an/an/an/a



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 VB


(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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1.10E+3n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human full length carbonic anhydrase 5B by stopped flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 2669-74 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.023
BindingDB Entry DOI: 10.7270/Q23R0TRX
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(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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UniProtKB/SwissProt

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PC cid
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Article
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1.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA5B by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 19: 1371-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.038
BindingDB Entry DOI: 10.7270/Q2JW8FS8
More data for this
Ligand-Target Pair