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BDBM10898 1-N-(4-tert-butylbenzene)benzene-1,3-disulfonamide::3-(4-tert-Butylphenylsulfonamido)benzenesulfonamide::aromatic/heteroaromatic sulfonamide 32

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O

InChI Key: InChIKey=LTYFMNXMFYEYSN-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 10898   
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))
BDBM10898
PNG
(1-N-(4-tert-butylbenzene)benzene-1,3-disulfonamide...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-16(2,3)12-7-9-14(10-8-12)24(21,22)18-13-5-4-6-15(11-13)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20)
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
203n/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 (hpCA)


(Helicobacter pylori J99)
BDBM10898
PNG
(1-N-(4-tert-butylbenzene)benzene-1,3-disulfonamide...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-16(2,3)12-7-9-14(10-8-12)24(21,22)18-13-5-4-6-15(11-13)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
318n/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))
BDBM10898
PNG
(1-N-(4-tert-butylbenzene)benzene-1,3-disulfonamide...)
Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-16(2,3)12-7-9-14(10-8-12)24(21,22)18-13-5-4-6-15(11-13)23(17,19)20/h4-11,18H,1-3H3,(H2,17,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
9.62E+3n/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