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1 similar compounds to monomer 50147212

Compile data set for download or QSAR
Wt: 346.3
BDBM50147211

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50147211   
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 12


(Homo sapiens (Human))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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2.80n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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4.90n/an/an/an/an/an/an/an/a



Egyptian Russian University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 incubated for 15 mins prior to testing by stopped flow carbon dioxide hydrase assay


Eur J Med Chem 110: 259-66 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.030
BindingDB Entry DOI: 10.7270/Q2D79D8Q
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Candida glabrata)
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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23n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida glabrata beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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34n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Candida albicans beta carbonic anhydrase NCE103 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 ...


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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164n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50147211
PNG
(CHEMBL3765353)
Show SMILES NS(=O)(=O)c1ccc(cc1)\N=C1/C(=O)Nc2ccc(cc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O5S/c15-24(22,23)10-4-1-8(2-5-10)16-13-11-7-9(18(20)21)3-6-12(11)17-14(13)19/h1-7H,(H2,15,22,23)(H,16,17,19)
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Article
PubMed
229n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 24: 1648-52 (2016)


Article DOI: 10.1016/j.bmc.2016.02.036
BindingDB Entry DOI: 10.7270/Q24Q7WW5
More data for this
Ligand-Target Pair