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BDBM50428435 CHEMBL2334353

SMILES: C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O

InChI Key: InChIKey=JUOLTTLEQHQQED-XNWCZRBMSA-N

Data: 6 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 6 hits for monomerid = 50428435   
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 12


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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PubMed
770n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
BindingDB Entry DOI: 10.7270/Q2S75HNS
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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Article
PubMed
6.35E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
BindingDB Entry DOI: 10.7270/Q2S75HNS
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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Article
PubMed
6.92E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
BindingDB Entry DOI: 10.7270/Q2S75HNS
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
PDB
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Article
PubMed
7.52E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
BindingDB Entry DOI: 10.7270/Q2S75HNS
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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Article
PubMed
9.75E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
BindingDB Entry DOI: 10.7270/Q2S75HNS
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
7.89E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
BindingDB Entry DOI: 10.7270/Q2S75HNS
More data for this
Ligand-Target Pair