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BDBM50051340 2'-Hydroxyflavanone::2'-hydroxy-flavanone::2-(2-Hydroxy-phenyl)-chroman-4-one::2-(2-hydroxyphenyl)-2,3-dihydrochromen-4-one::CHEMBL75897

SMILES: Oc1ccccc1C1CC(=O)c2ccccc2O1

InChI Key: InChIKey=KZKWCKFDCPVDFJ-UHFFFAOYSA-N

Data: 5 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 6 hits for monomerid = 50051340   
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
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051340
PNG
(2'-Hydroxyflavanone | 2'-hydroxy-flavanone | 2-(2-...)
Show SMILES Oc1ccccc1C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
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PubMed
2.63E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]N6-phenylisopropyladenosine binding from adenosine A1 receptor.


J Med Chem 41: 46-52 (1998)

Checked by Author
Article DOI: 10.1021/jm970446z
BindingDB Entry DOI: 10.7270/Q2NC62QT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50051340
PNG
(2'-Hydroxyflavanone | 2'-hydroxy-flavanone | 2-(2-...)
Show SMILES Oc1ccccc1C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
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2.64E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity at Adenosine A1 receptor in rat brain membranes by [3H]-PIA displacement.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50051340
PNG
(2'-Hydroxyflavanone | 2'-hydroxy-flavanone | 2-(2-...)
Show SMILES Oc1ccccc1C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
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6.03E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [125I]-AB-MECA binding from adenosine A3 receptor.


J Med Chem 41: 46-52 (1998)

Checked by Author
Article DOI: 10.1021/jm970446z
BindingDB Entry DOI: 10.7270/Q2NC62QT
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50051340
PNG
(2'-Hydroxyflavanone | 2'-hydroxy-flavanone | 2-(2-...)
Show SMILES Oc1ccccc1C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
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PubMed
6.07E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Binding affinity against human adenosine A3 receptor in HEK293 cells using [125I]-AB-MECA 21680 radioligand.


J Med Chem 39: 2293-301 (1996)


Article DOI: 10.1021/jm950923i
BindingDB Entry DOI: 10.7270/Q2D799J2
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50051340
PNG
(2'-Hydroxyflavanone | 2'-hydroxy-flavanone | 2-(2-...)
Show SMILES Oc1ccccc1C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
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PubMed
1.78E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Ability to displace [3H]-CGS- 21680 binding from adenosine A2A receptor.


J Med Chem 41: 46-52 (1998)

Checked by Author
Article DOI: 10.1021/jm970446z
BindingDB Entry DOI: 10.7270/Q2NC62QT
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50051340
PNG
(2'-Hydroxyflavanone | 2'-hydroxy-flavanone | 2-(2-...)
Show SMILES Oc1ccccc1C1CC(=O)c2ccccc2O1
Show InChI InChI=1S/C15H12O3/c16-12-7-3-1-5-10(12)15-9-13(17)11-6-2-4-8-14(11)18-15/h1-8,15-16H,9H2
PDB
MMDB

KEGG

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PubMed
n/an/a 100n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of AKR1C3


J Med Chem 55: 7746-58 (2012)


Article DOI: 10.1021/jm3007867
BindingDB Entry DOI: 10.7270/Q28K7B6F
More data for this
Ligand-Target Pair