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BDBM50428621 CHEMBL2331768

SMILES: NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1

InChI Key: InChIKey=TVLLMAWPUQUHII-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50428621   
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


(Candida albicans (Yeast))
BDBM50428621
PNG
(CHEMBL2331768)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)
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PC sid
UniChem
Article
PubMed
72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length Candida albicans NCE103 expressed in Escherichia coli BL21 preincubated for 15 mins by stopped-flow CO2 hydrase...


Bioorg Med Chem Lett 23: 2647-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.02.092
BindingDB Entry DOI: 10.7270/Q28S4R9P
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428621
PNG
(CHEMBL2331768)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)
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1.70n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2


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))
BDBM50428621
PNG
(CHEMBL2331768)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)
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2.5n/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 12


(Homo sapiens (Human))
BDBM50428621
PNG
(CHEMBL2331768)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)
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2.30n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


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 1


(Homo sapiens (Human))
BDBM50428621
PNG
(CHEMBL2331768)
Show SMILES NS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H18N4O3S/c20-27(25,26)23-16-12-10-15(11-13-16)21-19(24)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13,23H,(H2,20,25,26)(H2,21,22,24)
PDB
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NCI pathway
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UniChem
Article
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0.612n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1


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