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SMILES: NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1

InChI Key: InChIKey=RPNOCIVCNSJCFZ-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 9 hits for monomerid = 50387163   
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))
BDBM50387163
PNG
(4-ureidophenyl sulfamate ring derivative 3bb | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)22-13-6-4-12(5-7-13)18-14(19)17-10-8-11-3-1-2-9-16-11/h1-7,9H,8,10H2,(H2,15,20,21)(H2,17,18,19)
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1.10n/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
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387163
PNG
(4-ureidophenyl sulfamate ring derivative 3bb | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)22-13-6-4-12(5-7-13)18-14(19)17-10-8-11-3-1-2-9-16-11/h1-7,9H,8,10H2,(H2,15,20,21)(H2,17,18,19)
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2n/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
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387163
PNG
(4-ureidophenyl sulfamate ring derivative 3bb | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)22-13-6-4-12(5-7-13)18-14(19)17-10-8-11-3-1-2-9-16-11/h1-7,9H,8,10H2,(H2,15,20,21)(H2,17,18,19)
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3.5n/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
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387163
PNG
(4-ureidophenyl sulfamate ring derivative 3bb | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)22-13-6-4-12(5-7-13)18-14(19)17-10-8-11-3-1-2-9-16-11/h1-7,9H,8,10H2,(H2,15,20,21)(H2,17,18,19)
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3.60n/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
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387163
PNG
(4-ureidophenyl sulfamate ring derivative 3bb | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)22-13-6-4-12(5-7-13)18-14(19)17-10-8-11-3-1-2-9-16-11/h1-7,9H,8,10H2,(H2,15,20,21)(H2,17,18,19)
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10n/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
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50387163
PNG
(4-ureidophenyl sulfamate ring derivative 3bb | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)22-13-6-4-12(5-7-13)18-14(19)17-10-8-11-3-1-2-9-16-11/h1-7,9H,8,10H2,(H2,15,20,21)(H2,17,18,19)
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10n/an/an/an/an/an/an/an/a



Birla Institute of Technology





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


Article DOI: 10.3109/14756366.2013.827677
BindingDB Entry DOI: 10.7270/Q2NC5ZCQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387163
PNG
(4-ureidophenyl sulfamate ring derivative 3bb | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)22-13-6-4-12(5-7-13)18-14(19)17-10-8-11-3-1-2-9-16-11/h1-7,9H,8,10H2,(H2,15,20,21)(H2,17,18,19)
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14n/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
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50387163
PNG
(4-ureidophenyl sulfamate ring derivative 3bb | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)22-13-6-4-12(5-7-13)18-14(19)17-10-8-11-3-1-2-9-16-11/h1-7,9H,8,10H2,(H2,15,20,21)(H2,17,18,19)
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443n/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
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50387163
PNG
(4-ureidophenyl sulfamate ring derivative 3bb | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2ccccn2)cc1
Show InChI InChI=1S/C14H16N4O4S/c15-23(20,21)22-13-6-4-12(5-7-13)18-14(19)17-10-8-11-3-1-2-9-16-11/h1-7,9H,8,10H2,(H2,15,20,21)(H2,17,18,19)
PDB
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3.10E+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
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair