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BDBM50067133 1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-phenylpropan-1-one::1-[2-(2-Hydroxy-3-propylamino-propoxy)-phenyl]-3-phenyl-propan-1-one::1-[2-(2-Hydroxy-3-propylamino-propoxy)-phenyl]-3-phenyl-propan-1-one (propafenone)::1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine::CHEMBL631::GNF-Pf-4594::PROPAFENONE::Rythmol

SMILES: CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1

InChI Key: InChIKey=JWHAUXFOSRPERK-UHFFFAOYSA-N

Data: 1 KI  14 IC50  2 EC50

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 17 hits for monomerid = 50067133   
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
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Bulgarian Academy of Sciences

Curated by ChEMBL


Assay Description
Concentration giving half of the maximal ATPase activity calculated for the high-affinity binding site of the CHO P-Glycoprotein (P-gp) in two-affini...


J Med Chem 45: 5671-86 (2002)

More data for this
Ligand-Target Pair
Sterol 14α-demethylase (CYP51)


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a>2.00E+5n/an/an/an/an/an/a



ACT LLC

Curated by ChEMBL


Assay Description
Inhibition of human CYP51 expressed in Topp 3 cells by lanosterol demethylase assay


Drug Metab Dispos 35: 493-500 (2007)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 440n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of hERG K channel


Cardiovasc Res 91: 53-61 (2011)

More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



School of Life Science and Technology, Tongji University, 1239 Si Ping Road, Shanghai 200092, China.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)

More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Cavia porcellus)
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes


J Appl Toxicol 32: 858-66 (2012)

More data for this
Ligand-Target Pair
Twik-RElated Potassium (K+) channel 1 (TREK1)


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of human TREK1 expressed in CHO cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



Universit£ Clermont Auvergne

Curated by ChEMBL


Assay Description
Inhibition of of TASK1 (unknown origin) expressed in CHO cells assessed as reduction in channel currents


J Med Chem 59: 5149-57 (2016)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 2.88E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human cloned ERG channel expressed in chinese hamster CHO cells after 5 mins by patch clamp assay


J Med Chem 54: 7477-85 (2011)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as tonic inhibition after 5 mins by patch clamp assay


J Med Chem 54: 7477-85 (2011)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human cloned Nav1.5 channel expressed in chinese hamster CHO cells assessed as phasic inhibition after 5 mins by patch clamp assay


J Med Chem 54: 7477-85 (2011)

More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens-HUMAN)
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inhibition of human kir6.2/SUR2A ion channel coexpressed in human HEK293 cells after 5 mins by patch clamp assay


J Med Chem 54: 7477-85 (2011)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/an/an/a 320n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of daunomycin efflux in the resistant human T-lymphoblast cell line CEM vcr1000.


J Med Chem 41: 4001-11 (1998)

More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 800n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against IKr potassium channel


Bioorg Med Chem Lett 14: 4771-7 (2004)

More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/an/an/a 329n/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay


J Med Chem 50: 1698-702 (2007)

More data for this
Ligand-Target Pair
Adrenergic Alpha


(HUMAN)
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy


J Med Chem 51: 5932-42 (2008)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit Nav1.5


(Homo sapiens (Human))
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 1.19E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA


Cardiovasc Res 91: 53-61 (2011)

More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Cavia porcellus)
BDBM50067133
PNG
(1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...)
Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1
Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes


Cardiovasc Res 91: 53-61 (2011)

More data for this
Ligand-Target Pair