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BDBM50428447 CHEMBL479638

SMILES: CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O

InChI Key: InChIKey=QUTDPINFUYIJQA-UHFFFAOYSA-N

Data: 4 KI  1 IC50

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 = 50428447   
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))
BDBM50428447
PNG
(CHEMBL479638)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
Show InChI InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
PDB
MMDB

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Article
PubMed
3.32E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
BindingDB Entry DOI: 10.7270/Q2891765
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428447
PNG
(CHEMBL479638)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
Show InChI InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
PDB
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4.53E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
BindingDB Entry DOI: 10.7270/Q2891765
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428447
PNG
(CHEMBL479638)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
Show InChI InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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6.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
BindingDB Entry DOI: 10.7270/Q2891765
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428447
PNG
(CHEMBL479638)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
Show InChI InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
1.02E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
BindingDB Entry DOI: 10.7270/Q2891765
More data for this
Ligand-Target Pair
Glucose Transporter 1 (hGLUT1)


(Homo sapiens (Human))
BDBM50428447
PNG
(CHEMBL479638)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
Show InChI InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of GLUT1 in human H1299 cells assessed as inhibition of 2-deoxy-D-[3H]-glucose uptake incubated for 15 mins prior to 2-deoxy-D-[3H]-glucos...


Bioorg Med Chem Lett 23: 6923-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.037
BindingDB Entry DOI: 10.7270/Q2639R6Q
More data for this
Ligand-Target Pair