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BDBM35742 sulfonamide deriv., 8

SMILES: NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1

InChI Key: InChIKey=PQGMZYDYQJPUJM-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 35742   
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 VB


(Homo sapiens (Human))
BDBM35742
PNG
(sulfonamide deriv., 8)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,16,17)(H,12,13,15)
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Article
PubMed
6.10 -11.2n/an/an/an/an/an/a25



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM35742
PNG
(sulfonamide deriv., 8)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,16,17)(H,12,13,15)
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Article
PubMed
6.10n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 19: 3170-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.123
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM35742
PNG
(sulfonamide deriv., 8)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,16,17)(H,12,13,15)
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Article
PubMed
8.40 -11.0n/an/an/an/an/an/a25



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM35742
PNG
(sulfonamide deriv., 8)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,16,17)(H,12,13,15)
PDB
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Article
PubMed
51n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 19: 3170-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.123
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM35742
PNG
(sulfonamide deriv., 8)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,16,17)(H,12,13,15)
PDB
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UniChem

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Article
PubMed
51 -9.94n/an/an/an/an/an/a25



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM35742
PNG
(sulfonamide deriv., 8)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,16,17)(H,12,13,15)
PDB
MMDB

NCI pathway
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KEGG

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PC sid
UniChem

Patents

Article
PubMed
63n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method


Bioorg Med Chem Lett 19: 3170-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.123
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM35742
PNG
(sulfonamide deriv., 8)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C10H10N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,16,17)(H,12,13,15)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
63 -9.82n/an/an/an/an/a7.425



Istanbul University



Assay Description
An SX.18MV-R Applied Photophysics (Oxford, UK) stopped-flow instrument has been used to assay the catalytic/inhibition of various CA isozymes. Phenol...


Bioorg Med Chem 17: 4894-9 (2009)


Article DOI: 10.1016/j.bmc.2009.06.006
More data for this
Ligand-Target Pair