BDBM768 4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one::CHEMBL16694::phenprocoumon

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

InChI Key InChIKey=DQDAYGNAKTZFIW-UHFFFAOYSA-N

Data  3 KI  2 IC50

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 5 hits for monomerid = 768   

TargetVitamin K epoxide reductase complex subunit 1(Rattus norvegicus (Rat))
Universit£ Claude Bernard Lyon 1

Curated by ChEMBL
LigandPNGBDBM768(4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...)
Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
Affinity DataKi:  200nMAssay Description:In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Pharmacia and Upjohn, Inc.

Curated by ChEMBL
LigandPNGBDBM768(4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...)
Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
Affinity DataKi:  800nMAssay Description:Binding affinity of the compound towards HIV protease was determinedMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM768(4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...)
Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
Affinity DataKi:  1.00E+3nMAssay Description:HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM768(4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...)
Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
Affinity DataIC50: 5.28E+5nMAssay Description:Inhibition of human CYP2D6 expressed in Escherichia coli JM109More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Pharmacia and Upjohn, Inc.

Curated by ChEMBL
LigandPNGBDBM768(4-hydroxy-3-(1-phenylpropyl)-2H-chromen-2-one | CH...)
Show SMILES CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Show InChI InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibitory concentration against human immunodeficiency virus 1 protease in MT-4 cellsMore data for this Ligand-Target Pair