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BDBM10902 2-N-(4-tert-butylbenzene)-1,3,4-thiadiazole-2,5-disulfonamide::5-(4-tert-Butylphenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide::aromatic/heteroaromatic sulfonamide 36

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

InChI Key: InChIKey=XJTLHCNJZZEQCS-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 = 10902   
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)
BDBM10902
PNG
(2-N-(4-tert-butylbenzene)-1,3,4-thiadiazole-2,5-di...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H16N4O4S3/c1-12(2,3)8-4-6-9(7-5-8)23(19,20)16-10-14-15-11(21-10)22(13,17)18/h4-7H,1-3H3,(H,14,16)(H2,13,17,18)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/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))
BDBM10902
PNG
(2-N-(4-tert-butylbenzene)-1,3,4-thiadiazole-2,5-di...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H16N4O4S3/c1-12(2,3)8-4-6-9(7-5-8)23(19,20)16-10-14-15-11(21-10)22(13,17)18/h4-7H,1-3H3,(H,14,16)(H2,13,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
15n/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


(Homo sapiens (human))
BDBM10902
PNG
(2-N-(4-tert-butylbenzene)-1,3,4-thiadiazole-2,5-di...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H16N4O4S3/c1-12(2,3)8-4-6-9(7-5-8)23(19,20)16-10-14-15-11(21-10)22(13,17)18/h4-7H,1-3H3,(H,14,16)(H2,13,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
338n/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