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BDBM16664 2-oxo-N-(4-sulfamoylphenyl)-2H-chromene-3-carboxamide::4-(Coumarin-3-yl-carboxamido)benzenesulfonamide::aromatic sulfonamide compound 29

SMILES: NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1

InChI Key: InChIKey=KBDJGOANWVXJGW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 16664   
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))
BDBM16664
PNG
(2-oxo-N-(4-sulfamoylphenyl)-2H-chromene-3-carboxam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C16H12N2O5S/c17-24(21,22)12-7-5-11(6-8-12)18-15(19)13-9-10-3-1-2-4-14(10)23-16(13)20/h1-9H,(H,18,19)(H2,17,21,22)
PDB
MMDB

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Article
PubMed
13n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase VA


(Mus musculus (mouse))
BDBM16664
PNG
(2-oxo-N-(4-sulfamoylphenyl)-2H-chromene-3-carboxam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C16H12N2O5S/c17-24(21,22)12-7-5-11(6-8-12)18-15(19)13-9-10-3-1-2-4-14(10)23-16(13)20/h1-9H,(H,18,19)(H2,17,21,22)
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Article
PubMed
20n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM16664
PNG
(2-oxo-N-(4-sulfamoylphenyl)-2H-chromene-3-carboxam...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1
Show InChI InChI=1S/C16H12N2O5S/c17-24(21,22)12-7-5-11(6-8-12)18-15(19)13-9-10-3-1-2-4-14(10)23-16(13)20/h1-9H,(H,18,19)(H2,17,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
74n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 47: 1272-9 (2004)


Article DOI: 10.1021/jm031057+
BindingDB Entry DOI: 10.7270/Q2MW2FDP
More data for this
Ligand-Target Pair