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BDBM10901 4-(4-tert-Butylphenylsulfonamidoethyl)benzenesulfonamide::4-{2-[(4-tert-butylbenzene)sulfonamido]ethyl}benzene-1-sulfonamide::aromatic/heteroaromatic sulfonamide 35

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=FTZDIRAVFNSOGI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 10901   
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 (hpCA)


(Helicobacter pylori J99)
BDBM10901
PNG
(4-(4-tert-Butylphenylsulfonamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10901
PNG
(4-(4-tert-Butylphenylsulfonamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
94n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM10901
PNG
(4-(4-tert-Butylphenylsulfonamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H24N2O4S2/c1-18(2,3)15-6-10-17(11-7-15)26(23,24)20-13-12-14-4-8-16(9-5-14)25(19,21)22/h4-11,20H,12-13H2,1-3H3,(H2,19,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Kochi Medical School



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 49: 2117-26 (2006)

More data for this
Ligand-Target Pair