BindingDB PrimarySearch

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 9 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50343352
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Organic anion-transporting polypeptide 1D1 (Oatp1d1) (Danio rerio (Zebrafish))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rudjer Boskovic Institute					Assay 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...				J Biol Chem 288: 33894-911 (2013) Article DOI: 10.1074/jbc.M113.518506 BindingDB Entry DOI: 10.7270/Q29Z93RK
Rudjer Boskovic Institute					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (rVKORC1) (Rattus norvegicus (Rat))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	600	-8.82	n/a	n/a	n/a	n/a	n/a	7.4	37
Institut National de Recherche Agronomique (INRA)-Vetagro Sup, Veterinary School of Lyon					Assay 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...				J Biol Chem 288: 28733-42 (2013) Article DOI: 10.1074/jbc.M113.457119 BindingDB Entry DOI: 10.7270/Q27943HC
					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (hVKORC1) (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.80E+3	-8.15	n/a	n/a	n/a	n/a	n/a	7.4	37
Institut National de Recherche Agronomique (INRA)-Vetagro Sup, Veterinary School of Lyon					Assay 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...				J Biol Chem 288: 28733-42 (2013) Article DOI: 10.1074/jbc.M113.457119 BindingDB Entry DOI: 10.7270/Q27943HC
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Binding affinity towards cytochrome P450 2C9				J Med Chem 47: 907-14 (2004) Article DOI: 10.1021/jm030972s BindingDB Entry DOI: 10.7270/Q2ZK5HF3
AstraZeneca R&D Curated by ChEMBL					More data for this Ligand-Target Pair
VKORC1-like 1 (rVKORC1L1) (Rattus norvegicus (Rat))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	3.26E+4	-6.36	n/a	n/a	n/a	n/a	n/a	7.4	37
Institut National de Recherche Agronomique (INRA)-Vetagro Sup, Veterinary School of Lyon					Assay 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...				J Biol Chem 288: 28733-42 (2013) Article DOI: 10.1074/jbc.M113.457119 BindingDB Entry DOI: 10.7270/Q27943HC
					More data for this Ligand-Target Pair
VKORC1-like 1 (hVKORC1L1) (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	5.20E+4	-6.08	n/a	n/a	n/a	n/a	n/a	7.4	37
Institut National de Recherche Agronomique (INRA)-Vetagro Sup, Veterinary School of Lyon					Assay 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...				J Biol Chem 288: 28733-42 (2013) Article DOI: 10.1074/jbc.M113.457119 BindingDB Entry DOI: 10.7270/Q27943HC
					More data for this Ligand-Target Pair
Serum albumin (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/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
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serum albumin (Rattus norvegicus)	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	9.50E+4	n/a	n/a	n/a	n/a	n/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
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Subtilisin/kexin type 7 (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Estadual Paulista Curated by ChEMBL					Assay 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...				J Nat Prod 74: 1353-7 (2011) Article DOI: 10.1021/np1005983 BindingDB Entry DOI: 10.7270/Q2PZ596S
Universidade Estadual Paulista Curated by ChEMBL					More data for this Ligand-Target Pair
Serum albumin (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	4.68E+3	n/a	n/a	n/a	n/a	n/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
Universitat de Barcelona Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Bile salt export pump (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.15E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Serum albumin (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/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
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serum albumin (Rattus norvegicus)	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/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
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Vitamin K epoxide reductase complex subunit 1 (hVKORC1) (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Queensland Curated by ChEMBL					Assay Description Inhibition of VKOR (unknown origin) in HEK293 expressing FIXgla-PC incubated for 48 hrs by ELISA				Bioorg Med Chem Lett 29: 1954-1956 (2019) Article DOI: 10.1016/j.bmcl.2019.05.039
University of Queensland Curated by ChEMBL					More data for this Ligand-Target Pair
Serum albumin (Rattus norvegicus)	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/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
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Serum albumin (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	5.10E+5	n/a	n/a	n/a	n/a	n/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
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Serum albumin (Rattus norvegicus)	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	n/a	9.31E+3	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity to Wistar rat serum albumin				Drug Metab Dispos 39: 312-21 (2011) BindingDB Entry DOI: 10.7270/Q2J104Z4
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Serum albumin (Homo sapiens (Human))	BDBM50343352 (2-hydroxy-3-(3-oxo-1-phenylbutyl)-4H-chromen-4-one...) Show SMILES CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/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
Genentech Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)