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Compile Data Set for Download or QSAR

Found 10 hits of kd for monomerid = 50343352   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Albumin


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 2.00E+3n/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin at 20 degC by isothermal titration calorimetry analysis


J Med Chem 54: 2592-601 (2011)


Article DOI: 10.1021/jm1008924
BindingDB Entry DOI: 10.7270/Q2NS0V6G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 4.68E+3n/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin by PAMPA method


J Med Chem 51: 2009-17 (2008)


Article DOI: 10.1021/jm7012826
BindingDB Entry DOI: 10.7270/Q28053XB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 5.40E+3n/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Binding affinity to low-affinity binding site of human serum albumin at 20 degC by surface plasmon resonance assay


J Med Chem 54: 2592-601 (2011)


Article DOI: 10.1021/jm1008924
BindingDB Entry DOI: 10.7270/Q2NS0V6G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 5.50E+3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human serum albumin assessed as dissociation rate constant by surface plasmon resonance assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01784
BindingDB Entry DOI: 10.7270/Q2BG2SWG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Rattus norvegicus)
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 9.31E+3n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to Wistar rat serum albumin


Drug Metab Dispos 39: 312-21 (2011)


Article DOI: 10.1124/dmd.110.036095
BindingDB Entry DOI: 10.7270/Q2J104Z4
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 1.20E+4n/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human serum albumin at 37 degC by surface plasmon resonance assay


J Med Chem 54: 2592-601 (2011)


Article DOI: 10.1021/jm1008924
BindingDB Entry DOI: 10.7270/Q2NS0V6G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Rattus norvegicus)
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 2.00E+4n/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Binding affinity to low-affinity binding site of rat serum albumin at 20 degC by surface plasmon resonance assay


J Med Chem 54: 2592-601 (2011)


Article DOI: 10.1021/jm1008924
BindingDB Entry DOI: 10.7270/Q2NS0V6G
More data for this
Ligand-Target Pair
Albumin


(Rattus norvegicus)
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 9.50E+4n/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat serum albumin at 37 degC by surface plasmon resonance assay


J Med Chem 54: 2592-601 (2011)


Article DOI: 10.1021/jm1008924
BindingDB Entry DOI: 10.7270/Q2NS0V6G
More data for this
Ligand-Target Pair
Albumin


(Homo sapiens (Human))
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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n/an/an/a 5.10E+5n/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Binding affinity to high-affinity binding site of human serum albumin at 20 degC by surface plasmon resonance assay


J Med Chem 54: 2592-601 (2011)


Article DOI: 10.1021/jm1008924
BindingDB Entry DOI: 10.7270/Q2NS0V6G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Albumin


(Rattus norvegicus)
BDBM50343352
PNG
(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
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PubMed
n/an/an/a 9.00E+5n/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Binding affinity to high-affinity binding site of rat serum albumin at 20 degC by surface plasmon resonance assay


J Med Chem 54: 2592-601 (2011)


Article DOI: 10.1021/jm1008924
BindingDB Entry DOI: 10.7270/Q2NS0V6G
More data for this
Ligand-Target Pair