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BDBM237337 N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I-2)

SMILES: NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1

InChI Key: InChIKey=CLQKLKMYYRXPTB-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 237337   
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))
BDBM237337
PNG
(N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 57.7n/an/an/an/a7.525



UniversitÓ di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 289-93 (2013)


Article DOI: 10.3109/14756366.2011.649269
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM237337
PNG
(N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 517n/an/an/an/a7.525



UniversitÓ di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 289-93 (2013)


Article DOI: 10.3109/14756366.2011.649269
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM237337
PNG
(N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 499n/an/an/an/a7.525



UniversitÓ di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 289-93 (2013)


Article DOI: 10.3109/14756366.2011.649269
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM237337
PNG
(N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C13H21N3O5S2/c14-22(17,18)12-2-4-13(5-3-12)23(19,20)15-6-1-7-16-8-10-21-11-9-16/h2-5,15H,1,6-11H2,(H2,14,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65.8n/an/an/an/a7.525



UniversitÓ di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...


J Enzyme Inhib Med Chem 28: 289-93 (2013)


Article DOI: 10.3109/14756366.2011.649269
More data for this
Ligand-Target Pair