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BDBM50428619 CHEMBL2331755

SMILES: CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1

InChI Key: InChIKey=YOVWWVGGVAEQKY-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 = 50428619   
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


(Homo sapiens (human))
BDBM50428619
PNG
(CHEMBL2331755)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21)
PDB
MMDB

NCI pathway
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PC sid
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0.712n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50428619
PNG
(CHEMBL2331755)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21)
PDB
MMDB

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PC sid
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Article
PubMed
1.80n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50428619
PNG
(CHEMBL2331755)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
2.60n/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)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50428619
PNG
(CHEMBL2331755)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
2.90n/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)

More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50428619
PNG
(CHEMBL2331755)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
55n/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)

More data for this
Ligand-Target Pair