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BDBM50387119 4-ureidophenyl sulfamate ring derivative 3an::CHEMBL2047832

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

InChI Key: InChIKey=KUYFPYCHAOODFB-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50387119   
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 1


(Homo sapiens (Human))
BDBM50387119
PNG
(4-ureidophenyl sulfamate ring derivative 3an | CHE...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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0.818n/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)


Article DOI: 10.1016/j.bmc.2012.11.004
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387119
PNG
(4-ureidophenyl sulfamate ring derivative 3an | CHE...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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1.90n/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)


Article DOI: 10.1016/j.bmc.2012.11.004
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387119
PNG
(4-ureidophenyl sulfamate ring derivative 3an | CHE...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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2.80n/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)


Article DOI: 10.1016/j.bmc.2012.11.004
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387119
PNG
(4-ureidophenyl sulfamate ring derivative 3an | CHE...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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3.10n/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)


Article DOI: 10.1016/j.bmc.2012.11.004
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387119
PNG
(4-ureidophenyl sulfamate ring derivative 3an | CHE...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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37n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387119
PNG
(4-ureidophenyl sulfamate ring derivative 3an | CHE...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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67n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387119
PNG
(4-ureidophenyl sulfamate ring derivative 3an | CHE...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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67n/an/an/an/an/an/an/an/a



Birla Institute of Technology





J Enzyme Inhib Med Chem 29: 571-81 (2014)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387119
PNG
(4-ureidophenyl sulfamate ring derivative 3an | CHE...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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547n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387119
PNG
(4-ureidophenyl sulfamate ring derivative 3an | CHE...)
Show SMILES CC(C)c1ccccc1NC(=O)Nc1ccc(OS(N)(=O)=O)cc1
Show InChI InChI=1S/C16H19N3O4S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23-24(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)
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6.54E+3n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
More data for this
Ligand-Target Pair