BindingDB logo
myBDB logout

BDBM50387151 4-ureidophenyl sulfamate ring derivative 3ao::CHEMBL2047833

SMILES: NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1

InChI Key: InChIKey=WMSGIFCKNNYVEP-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 = 50387151   
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))
BDBM50387151
PNG
(4-ureidophenyl sulfamate ring derivative 3ao | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.520n/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))
BDBM50387151
PNG
(4-ureidophenyl sulfamate ring derivative 3ao | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/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))
BDBM50387151
PNG
(4-ureidophenyl sulfamate ring derivative 3ao | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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))
BDBM50387151
PNG
(4-ureidophenyl sulfamate ring derivative 3ao | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.20n/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))
BDBM50387151
PNG
(4-ureidophenyl sulfamate ring derivative 3ao | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
26n/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))
BDBM50387151
PNG
(4-ureidophenyl sulfamate ring derivative 3ao | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
75n/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))
BDBM50387151
PNG
(4-ureidophenyl sulfamate ring derivative 3ao | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
75n/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))
BDBM50387151
PNG
(4-ureidophenyl sulfamate ring derivative 3ao | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
750n/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))
BDBM50387151
PNG
(4-ureidophenyl sulfamate ring derivative 3ao | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NC2c3ccccc3-c3ccccc23)cc1
Show InChI InChI=1S/C20H17N3O4S/c21-28(25,26)27-14-11-9-13(10-12-14)22-20(24)23-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-12,19H,(H2,21,25,26)(H2,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.30E+4n/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