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BDBM10895 4-(4-tert-Butylphenylcarboxamidoethyl)benzenesulfonamide::4-tert-butyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide::aromatic/heteroaromatic sulfonamide 29

SMILES: CC(C)(C)c1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=ZPGYWZHPIGXUNA-UHFFFAOYSA-N

Data: 3 KI

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

Found 3 hits for monomerid = 10895   
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)
BDBM10895
PNG
(4-(4-tert-Butylphenylcarboxamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)
PDB

KEGG

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
51n/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))
BDBM10895
PNG
(4-(4-tert-Butylphenylcarboxamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
123n/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))
BDBM10895
PNG
(4-(4-tert-Butylphenylcarboxamidoethyl)benzenesulfo...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H24N2O3S/c1-19(2,3)16-8-6-15(7-9-16)18(22)21-13-12-14-4-10-17(11-5-14)25(20,23)24/h4-11H,12-13H2,1-3H3,(H,21,22)(H2,20,23,24)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
1.25E+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