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BDBM50185304 SULFASUCCINAMIDE::Sulfasuccinamide

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

InChI Key: InChIKey=RXXXPZYBZLDQKP-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50185304   
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 12


(Homo sapiens (human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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0.520n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00492
BindingDB Entry DOI: 10.7270/Q2HT2R80
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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6.10n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00492
BindingDB Entry DOI: 10.7270/Q2HT2R80
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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13n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00492
BindingDB Entry DOI: 10.7270/Q2HT2R80
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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18n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00492
BindingDB Entry DOI: 10.7270/Q2HT2R80
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
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PubMed
249n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00492
BindingDB Entry DOI: 10.7270/Q2HT2R80
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM50185304
PNG
(SULFASUCCINAMIDE | Sulfasuccinamide)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C10H12N2O5S/c11-18(16,17)8-3-1-7(2-4-8)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)(H2,11,16,17)
PDB
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Article
PubMed
486n/an/an/an/an/an/an/an/a



Temple University School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins prior to testing by stopped-flow CO2 hydration assay


J Med Chem 59: 5077-88 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00492
BindingDB Entry DOI: 10.7270/Q2HT2R80
More data for this
Ligand-Target Pair