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BDBM50051354 3-Chloro-2-phenyl-chromen-4-one::CHEMBL74975

SMILES: Clc1c(oc2ccccc2c1=O)-c1ccccc1

InChI Key: InChIKey=FHXDSQYFCFWKAW-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50051354   
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))
BDBM50051354
PNG
(3-Chloro-2-phenyl-chromen-4-one | CHEMBL74975)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
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PubMed
2.48E+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))
BDBM50051354
PNG
(3-Chloro-2-phenyl-chromen-4-one | CHEMBL74975)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
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PubMed
1.15E+4n/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))
BDBM50051354
PNG
(3-Chloro-2-phenyl-chromen-4-one | CHEMBL74975)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
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PubMed
1.15E+4n/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))
BDBM50051354
PNG
(3-Chloro-2-phenyl-chromen-4-one | CHEMBL74975)
Show SMILES Clc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H9ClO2/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10/h1-9H
PDB
MMDB

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B.MOAD
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Article
PubMed
2.51E+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