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BDBM50042976 (E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone::(E)-3-phenyl-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one::2',4',6'-trihydroxychalcone::3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone::CHEMBL129371

SMILES: Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1

InChI Key: InChIKey=LOYXTWZXLWHMBX-VOTSOKGWSA-N

Data: 5 IC50

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

Found 5 hits for monomerid = 50042976   
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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
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PubMed
n/an/a 1.40E+5n/an/an/an/an/an/a



Tokushima Bunri University

Curated by ChEMBL


Assay Description
In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined


J Med Chem 36: 3904-9 (1994)


BindingDB Entry DOI: 10.7270/Q2MS3RT4
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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CHEMBL
KEGG
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PC sid
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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase


Bioorg Med Chem 15: 2396-402 (2007)


Article DOI: 10.1016/j.bmc.2007.01.017
BindingDB Entry DOI: 10.7270/Q2R78DWH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 1 (SGLT1)


(Homo sapiens (Human))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
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antibodypedia
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Article
PubMed
n/an/a 2.54E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human SGLT1 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...


J Med Chem 60: 568-579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01134
BindingDB Entry DOI: 10.7270/Q2KK9F2F
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
KEGG
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UniChem

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Article
PubMed
n/an/a 3.33E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in HEK293 cells assessed as reduction in 2-deoxyglucose uptake pretreated for 10 mins followed by 2-deoxyglucose ...


J Med Chem 60: 568-579 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01134
BindingDB Entry DOI: 10.7270/Q2KK9F2F
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50042976
PNG
((E)-3-Phenyl-1-(2,4,6-trihydroxy-phenyl)-propenone...)
Show SMILES Oc1cc(O)c(C(=O)\C=C\c2ccccc2)c(O)c1
Show InChI InChI=1S/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H/b7-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
n/an/a 1.40E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 5-lipoxygenase in rat RBL1 cells


Citation and Details

Article DOI: 10.1007/s00044-013-0745-7
BindingDB Entry DOI: 10.7270/Q22N53QB
More data for this
Ligand-Target Pair