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BDBM10896 4-tert-butyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide::5-(4-tert-Butylphenylcarboxamido)-1,3,4-thiadiazole-2-sulfonamide::aromatic/heteroaromatic sulfonamide 30

SMILES: CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key: InChIKey=XEKJJHXPOFNLDM-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 = 10896   
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)
BDBM10896
PNG
(4-tert-butyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N4O3S2/c1-13(2,3)9-6-4-8(5-7-9)10(18)15-11-16-17-12(21-11)22(14,19)20/h4-7H,1-3H3,(H2,14,19,20)(H,15,16,18)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
13n/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))
BDBM10896
PNG
(4-tert-butyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N4O3S2/c1-13(2,3)9-6-4-8(5-7-9)10(18)15-11-16-17-12(21-11)22(14,19)20/h4-7H,1-3H3,(H2,14,19,20)(H,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
18n/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))
BDBM10896
PNG
(4-tert-butyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N4O3S2/c1-13(2,3)9-6-4-8(5-7-9)10(18)15-11-16-17-12(21-11)22(14,19)20/h4-7H,1-3H3,(H2,14,19,20)(H,15,16,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
541n/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