BindingDB logo
myBDB logout

BDBM10900 4-(4-tert-Butylphenylsulfonamidomethyl)benzenesulfonamide::4-[(4-tert-butylbenzene)sulfonamidomethyl]benzene-1-sulfonamide::aromatic/heteroaromatic sulfonamide 34

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=PKWLEKAANYMYQP-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 = 10900   
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)
BDBM10900
PNG
(4-(4-tert-Butylphenylsulfonamidomethyl)benzenesulf...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-17(2,3)14-6-10-16(11-7-14)25(22,23)19-12-13-4-8-15(9-5-13)24(18,20)21/h4-11,19H,12H2,1-3H3,(H2,18,20,21)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
31n/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)


Article DOI: 10.1021/jm0512600
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10900
PNG
(4-(4-tert-Butylphenylsulfonamidomethyl)benzenesulf...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-17(2,3)14-6-10-16(11-7-14)25(22,23)19-12-13-4-8-15(9-5-13)24(18,20)21/h4-11,19H,12H2,1-3H3,(H2,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
104n/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)


Article DOI: 10.1021/jm0512600
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10900
PNG
(4-(4-tert-Butylphenylsulfonamidomethyl)benzenesulf...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H22N2O4S2/c1-17(2,3)14-6-10-16(11-7-14)25(22,23)19-12-13-4-8-15(9-5-13)24(18,20)21/h4-11,19H,12H2,1-3H3,(H2,18,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
1.22E+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)


Article DOI: 10.1021/jm0512600
More data for this
Ligand-Target Pair