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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50387129'   
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 9


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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3.70n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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9n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 preincubated for 15 mins by stopped-flow CO2 hydration method


J Med Chem 55: 5591-600 (2012)


Article DOI: 10.1021/jm300529u
BindingDB Entry DOI: 10.7270/Q23R0TZM
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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9n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387129
PNG
(4-ureidophenyl sulfamate ring derivative 3n | CHEM...)
Show SMILES CN(C)c1ccc(NC(=O)Nc2ccc(OS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C15H18N4O4S/c1-19(2)13-7-3-11(4-8-13)17-15(20)18-12-5-9-14(10-6-12)23-24(16,21)22/h3-10H,1-2H3,(H2,16,21,22)(H2,17,18,20)
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9n/an/an/an/an/an/an/an/a



Birla Institute of Technology





J Enzyme Inhib Med Chem 29: 571-81 (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZCQ
More data for this
Ligand-Target Pair