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1 similar compounds to monomer 50114857

Compile data set for download or QSAR
Wt: 367.3
BDBM50114847

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50114847   
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))
BDBM50114847
PNG
(CHEMBL3608884)
Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O6S/c1-22-11-3-2-10(8-13(11)25(16,20)21)12-9-17-14(24-12)15(19)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21)
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Article
PubMed
0.0500n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50114847
PNG
(CHEMBL3608884)
Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O6S/c1-22-11-3-2-10(8-13(11)25(16,20)21)12-9-17-14(24-12)15(19)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21)
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PubMed
4.5n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50114847
PNG
(CHEMBL3608884)
Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O6S/c1-22-11-3-2-10(8-13(11)25(16,20)21)12-9-17-14(24-12)15(19)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21)
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50114847
PNG
(CHEMBL3608884)
Show SMILES COc1ccc(cc1S(N)(=O)=O)-c1cnc(o1)C(=O)N1CCOCC1
Show InChI InChI=1S/C15H17N3O6S/c1-22-11-3-2-10(8-13(11)25(16,20)21)12-9-17-14(24-12)15(19)18-4-6-23-7-5-18/h2-3,8-9H,4-7H2,1H3,(H2,16,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method


Eur J Med Chem 101: 334-47 (2015)


Article DOI: 10.1016/j.ejmech.2015.06.022
BindingDB Entry DOI: 10.7270/Q2W95BZC
More data for this
Ligand-Target Pair