BindingDB logo
myBDB logout

BDBM10891 2-(4-tert-Butylphenylcarboxamido)benzenesulfonamide::4-tert-butyl-N-(2-sulfamoylphenyl)benzamide::aromatic/heteroaromatic sulfonamide 25

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O

InChI Key: InChIKey=PXSZIIQVGWAFNK-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 = 10891   
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 2


(Homo sapiens (Human))
BDBM10891
PNG
(2-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-14-6-4-5-7-15(14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
241n/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 (hpCA)


(Helicobacter pylori J99)
BDBM10891
PNG
(2-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-14-6-4-5-7-15(14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
539n/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 1


(Homo sapiens (Human))
BDBM10891
PNG
(2-(4-tert-Butylphenylcarboxamido)benzenesulfonamid...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C17H20N2O3S/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-14-6-4-5-7-15(14)23(18,21)22/h4-11H,1-3H3,(H,19,20)(H2,18,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.23E+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