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SMILES: NCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O

InChI Key: InChIKey=DJWIIEWLRGLZQT-UHFFFAOYSA-N

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 4 hits for monomerid = 50415854   
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 2


(Homo sapiens (Human))
BDBM50415854
PNG
(CHEMBL383075)
Show SMILES NCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N4O5S2/c17-10-2-5-16(21)19-12-6-8-14(9-7-12)27(24,25)20-13-3-1-4-15(11-13)26(18,22)23/h1,3-4,6-9,11,20H,2,5,10,17H2,(H,19,21)(H2,18,22,23)
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Article
PubMed
13n/an/an/an/an/an/an/an/a



GITAM University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2


Bioorg Med Chem Lett 20: 3089-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.104
BindingDB Entry DOI: 10.7270/Q28C9XGR
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50415854
PNG
(CHEMBL383075)
Show SMILES NCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N4O5S2/c17-10-2-5-16(21)19-12-6-8-14(9-7-12)27(24,25)20-13-3-1-4-15(11-13)26(18,22)23/h1,3-4,6-9,11,20H,2,5,10,17H2,(H,19,21)(H2,18,22,23)
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Article
PubMed
7.69E+7n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA2


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50415854
PNG
(CHEMBL383075)
Show SMILES NCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N4O5S2/c17-10-2-5-16(21)19-12-6-8-14(9-7-12)27(24,25)20-13-3-1-4-15(11-13)26(18,22)23/h1,3-4,6-9,11,20H,2,5,10,17H2,(H,19,21)(H2,18,22,23)
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6.10E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of human CA1


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Bos taurus (bovine))
BDBM50415854
PNG
(CHEMBL383075)
Show SMILES NCCCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N4O5S2/c17-10-2-5-16(21)19-12-6-8-14(9-7-12)27(24,25)20-13-3-1-4-15(11-13)26(18,22)23/h1,3-4,6-9,11,20H,2,5,10,17H2,(H,19,21)(H2,18,22,23)
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Article
PubMed
6.70E+10n/an/an/an/an/an/an/an/a



A.P.S. University

Curated by ChEMBL


Assay Description
Inhibition of bovine CA4


Bioorg Med Chem Lett 16: 2044-51 (2006)


Article DOI: 10.1016/j.bmcl.2005.08.071
BindingDB Entry DOI: 10.7270/Q20Z761V
More data for this
Ligand-Target Pair