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BDBM50386720 CHEMBL2048922

SMILES: CCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1

InChI Key: InChIKey=HUTCTQGBOFUZJI-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50386720   
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 7


(Homo sapiens (Human))
BDBM50386720
PNG
(CHEMBL2048922)
Show SMILES CCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C17H20N2O4S/c1-2-23-15-5-3-4-13(12-15)10-11-19-17(20)14-6-8-16(9-7-14)24(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22)
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4.80n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA7-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay


J Med Chem 55: 3891-9 (2012)


Article DOI: 10.1021/jm300112w
BindingDB Entry DOI: 10.7270/Q20G3M6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50386720
PNG
(CHEMBL2048922)
Show SMILES CCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C17H20N2O4S/c1-2-23-15-5-3-4-13(12-15)10-11-19-17(20)14-6-8-16(9-7-14)24(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22)
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8.10n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 catalytic domain-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay


J Med Chem 55: 3891-9 (2012)


Article DOI: 10.1021/jm300112w
BindingDB Entry DOI: 10.7270/Q20G3M6Q
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50386720
PNG
(CHEMBL2048922)
Show SMILES CCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C17H20N2O4S/c1-2-23-15-5-3-4-13(12-15)10-11-19-17(20)14-6-8-16(9-7-14)24(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22)
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8.60n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA14-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay


J Med Chem 55: 3891-9 (2012)


Article DOI: 10.1021/jm300112w
BindingDB Entry DOI: 10.7270/Q20G3M6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50386720
PNG
(CHEMBL2048922)
Show SMILES CCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C17H20N2O4S/c1-2-23-15-5-3-4-13(12-15)10-11-19-17(20)14-6-8-16(9-7-14)24(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22)
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33n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay


J Med Chem 55: 3891-9 (2012)


Article DOI: 10.1021/jm300112w
BindingDB Entry DOI: 10.7270/Q20G3M6Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50386720
PNG
(CHEMBL2048922)
Show SMILES CCOc1cccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)c1
Show InChI InChI=1S/C17H20N2O4S/c1-2-23-15-5-3-4-13(12-15)10-11-19-17(20)14-6-8-16(9-7-14)24(18,21)22/h3-9,12H,2,10-11H2,1H3,(H,19,20)(H2,18,21,22)
PDB
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NCI pathway
Reactome pathway
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PC sid
UniChem

Similars

Article
PubMed
514n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length CA1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay


J Med Chem 55: 3891-9 (2012)


Article DOI: 10.1021/jm300112w
BindingDB Entry DOI: 10.7270/Q20G3M6Q
More data for this
Ligand-Target Pair