BDBM50343352 2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one::4-(4-hydroxy-2-oxo-2H-3-chromenyl)-4-phenyl-2-butanone::4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one::4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one::CHEMBL1464::Coumadin::Jantoven::Warfarin4-Hydroxy-3-(3-oxo-1-phenyl-butyl)-chromen-2-one::wafarin::warfarin::warfarine

SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O

InChI Key InChIKey=PJVWKTKQMONHTI-UHFFFAOYSA-N

Data  6 KI  3 IC50  10 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50343352   

TargetSolute carrier organic anion transporter family member(Danio rerio (Zebrafish))
Rudjer Boskovic Institute

LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKi:  360nMAssay Description:In the inhibition experiments, the cells were preincubated for 20 s with test compounds, followed by a 5-min incubation with [3H]E3S (5 nM) or 30-min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin K epoxide reductase complex subunit 1(Rattus norvegicus (Rat))
Institut National De Recherche Agronomique (Inra)-Vetagro Sup, Veterinary School Of Lyon

LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKi:  600nM ΔG°:  -8.82kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, standard reactions were performed in 200 mM Hepes buffer, pH 7.4, containing 150 mM KCl, 1 mM dithiothreitol, 0.25 to 2 g liter-1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin K epoxide reductase complex subunit 1(Homo sapiens (Human))
Institut National De Recherche Agronomique (Inra)-Vetagro Sup, Veterinary School Of Lyon

LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKi:  1.80E+3nM ΔG°:  -8.15kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, standard reactions were performed in 200 mM Hepes buffer, pH 7.4, containing 150 mM KCl, 1 mM dithiothreitol, 0.25 to 2 g liter-1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Astrazeneca R&D

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKi:  2.00E+4nMAssay Description:Binding affinity towards cytochrome P450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetVitamin K epoxide reductase complex subunit 1-like protein 1(Rattus norvegicus (Rat))
Institut National De Recherche Agronomique (Inra)-Vetagro Sup, Veterinary School Of Lyon

LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKi:  3.26E+4nM ΔG°:  -6.36kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, standard reactions were performed in 200 mM Hepes buffer, pH 7.4, containing 150 mM KCl, 1 mM dithiothreitol, 0.25 to 2 g liter-1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin K epoxide reductase complex subunit 1-like protein 1(Homo sapiens (Human))
Institut National De Recherche Agronomique (Inra)-Vetagro Sup, Veterinary School Of Lyon

LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKi:  5.20E+4nM ΔG°:  -6.08kcal/molepH: 7.4 T: 2°CAssay Description:Briefly, standard reactions were performed in 200 mM Hepes buffer, pH 7.4, containing 150 mM KCl, 1 mM dithiothreitol, 0.25 to 2 g liter-1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  1.20E+4nMAssay Description:Binding affinity to human serum albumin at 37 degC by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetAlbumin(Rattus norvegicus)
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  9.50E+4nMAssay Description:Binding affinity to rat serum albumin at 37 degC by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProprotein convertase subtilisin/kexin type 7(Homo sapiens (Human))
Universidade Estadual Paulista

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataIC50:  2.46E+4nMAssay Description:Inhibition of recombinant type 8 subtilisin using Arg-Glu-(EDANS)- Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys-(DALBCYL)-Arg fluorogenic substrate preincubat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  4.68E+3nMAssay Description:Binding affinity to human serum albumin by PAMPA methodMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataIC50:  1.15E+5nMAssay Description:Tested in vitro for dopamine(DA) neuronal uptake inhibitionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin K epoxide reductase complex subunit 1(Homo sapiens (Human))
Institut National De Recherche Agronomique (Inra)-Vetagro Sup, Veterinary School Of Lyon

LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataIC50:  8.80nMAssay Description:Inhibition of VKOR (unknown origin) in HEK293 expressing FIXgla-PC incubated for 48 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to human serum albumin at 20 degC by isothermal titration calorimetry analysisMore data for this Ligand-Target Pair
TargetAlbumin(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  5.50E+3nMAssay Description:Binding affinity to human serum albumin assessed as dissociation rate constant by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetAlbumin(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  5.40E+3nMAssay Description:Binding affinity to low-affinity binding site of human serum albumin at 20 degC by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetAlbumin(Rattus norvegicus)
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  9.00E+5nMAssay Description:Binding affinity to high-affinity binding site of rat serum albumin at 20 degC by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Homo sapiens (Human))
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  5.10E+5nMAssay Description:Binding affinity to high-affinity binding site of human serum albumin at 20 degC by surface plasmon resonance assayMore data for this Ligand-Target Pair
TargetAlbumin(Rattus norvegicus)
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  9.31E+3nMAssay Description:Binding affinity to Wistar rat serum albuminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlbumin(Rattus norvegicus)
Genentech

Curated by ChEMBL
LigandPNGBDBM50343352(2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...)
Affinity DataKd:  2.00E+4nMAssay Description:Binding affinity to low-affinity binding site of rat serum albumin at 20 degC by surface plasmon resonance assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed