BindingDB BDBM50028091 (1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime::CHEMBL814::FLUVOXAMINE

BDBM50028091 (1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime::CHEMBL814::FLUVOXAMINE

SMILES COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F

InChI Key InChIKey=CJOFXWAVKWHTFT-UHFFFAOYSA-N

Data 56 KI 12 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 68 hits for monomerid = 50028091

ATP-binding cassette sub-family C member 2(Human)
Amgen

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair

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Transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 1.90E+3nMAssay Description:Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothalamus, using [3H]norepinephrineMore data for this Ligand-Target Pair

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Sodium-dependent serotonin transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 540nMAssay Description:Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, using [3H]5-HTMore data for this Ligand-Target Pair

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3D Structure (crystal)

Potassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 3.10E+3nMAssay Description:Inhibition of hERG K channelMore data for this Ligand-Target Pair

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Bile salt export pump(Human)
Amgen

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair

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ATP-binding cassette sub-family C member 3(Human)
Amgen

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair

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Voltage-dependent L-type calcium channel subunit alpha-1C(Guinea pig)
University of Oxford

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 4.90E+3nMAssay Description:Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytesMore data for this Ligand-Target Pair

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Sodium channel protein type 5 subunit alpha(Human)
University of Oxford

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 3.94E+4nMAssay Description:Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNAMore data for this Ligand-Target Pair

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ATP-binding cassette sub-family C member 4(Human)
Amgen

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair

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Sodium-dependent dopamine transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 4.50E+4nMAssay Description:Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum, using [3H]dopamineMore data for this Ligand-Target Pair

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Voltage-dependent L-type calcium channel subunit alpha-1C(Guinea pig)
University of Oxford

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 4.90E+3nMAssay Description:Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytesMore data for this Ligand-Target Pair

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Sodium-dependent serotonin transporter(Human)
Soochow University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

IC50: 3.80nMAssay Description:Inhibition of SERT (unknown origin)More data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Human)
Soochow University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.46nMAssay Description:In vitro competitive binding versus [3H]-citalopram in murine kidney cells transfected with cDNA for human serotonin transporter (SERT)More data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.5nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Human)
Soochow University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.60nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Human)
Soochow University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 2.20nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Human)
Soochow University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 2.30nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 2.77nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent dopamine transporter(Human)
Emory University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 3.08nMAssay Description:Inhibition constant against [3H]citalopram in murine kidney cells transfected with human dopamine transporterMore data for this Ligand-Target Pair

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Sodium-dependent serotonin transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 3.08nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 3.57nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 3.80nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 4.17nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 6.70nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Human)
Soochow University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 11nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Human)
Soochow University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 14nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sigma non-opioid intracellular receptor 1(Human)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 36nMAssay Description:Binding affinity to sigma 1 receptorMore data for this Ligand-Target Pair

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Sigma non-opioid intracellular receptor 1(Rat)
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 36nMAssay Description:Displacement of [3H]-(+)pentazocine from rat brain sigma 1-type opioid receptorMore data for this Ligand-Target Pair

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Sigma non-opioid intracellular receptor 1(Rat)
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 36nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Sprague-Dawley rat brain membranes by scintillation counting methodMore data for this Ligand-Target Pair

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Norepinephrine transporter(Rat)
Mcneil Pharmaceutical

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 299nMMore data for this Ligand-Target Pair

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Sodium-dependent serotonin transporter(Human)
Soochow University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 458nMAssay Description:Displacement of [3H]citalopram from human SERT in HEK293 cells by Topcount scintillation analysisMore data for this Ligand-Target Pair

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3D Structure (crystal)

Sodium-dependent serotonin transporter(Rat)
TBA

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 540nMMore data for this Ligand-Target Pair

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3D Structure (crystal)

Norepinephrine transporter(Rat)
Mcneil Pharmaceutical

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 620nMMore data for this Ligand-Target Pair

UniProtKB/TrEMBL
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Norepinephrine transporter(Rat)
Mcneil Pharmaceutical

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 940nMMore data for this Ligand-Target Pair

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Sodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.12E+3nMMore data for this Ligand-Target Pair

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Alpha-1A adrenergic receptor(Human)
Emory University

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.29E+3nMMore data for this Ligand-Target Pair

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Sodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.30E+3nMMore data for this Ligand-Target Pair

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Norepinephrine transporter(Rat)
Mcneil Pharmaceutical

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.36E+3nMMore data for this Ligand-Target Pair

UniProtKB/TrEMBL
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Sodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.43E+3nMMore data for this Ligand-Target Pair

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Alpha-2C adrenergic receptor(Rat)
TBA

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.90E+3nMMore data for this Ligand-Target Pair

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Norepinephrine transporter(Rat)
Mcneil Pharmaceutical

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 1.90E+3nMMore data for this Ligand-Target Pair

UniProtKB/TrEMBL
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Sodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 2.95E+3nMMore data for this Ligand-Target Pair

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Sodium-dependent noradrenaline transporter(Human)
Emory University

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 4.74E+3nMMore data for this Ligand-Target Pair

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Alpha-1A adrenergic receptor(Rat)
TBA

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 4.80E+3nMMore data for this Ligand-Target Pair

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Norepinephrine transporter(Rat)
Mcneil Pharmaceutical

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 5.00E+3nMMore data for this Ligand-Target Pair

UniProtKB/TrEMBL
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5-hydroxytryptamine receptor 2C(Pig)
Emory University

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 5.79E+3nMMore data for this Ligand-Target Pair

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5-hydroxytryptamine receptor 2C(Rat)
TBA

Curated by PDSP K_i Database

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 6.70E+3nMMore data for this Ligand-Target Pair

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Cytochrome P450 2D6(Human)
Diakonhjemmet Hospital

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 8.00E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin) assessed as sparteine oxidationMore data for this Ligand-Target Pair

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Sigma intracellular receptor 2(Rat)
Soochow University

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 8.44E+3nMAssay Description:Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat brain membranes in presence of (+)-pentazocine by scintillation counting methodMore data for this Ligand-Target Pair

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Cytochrome P450 2C9(Human)
Astrazeneca R&D

Curated by ChEMBL

BDBM50028091((1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan...)

Ki: 8.50E+3nMAssay Description:Binding affinity towards cytochrome P450 2C9More data for this Ligand-Target Pair

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Displayed 1 to 50 (of 68 total ) | Next | Last >>

Filter my 68 hits

Targets 28▿
- Sodium-dependent serotonin transporter 17
- Sodium-dependent dopamine transporter 9
- Norepinephrine transporter 6
- Sodium-dependent noradrenaline transporter 5
- Sigma non-opioid intracellular receptor 1 3
- Alpha-1A adrenergic receptor 2
- Histamine H1 receptor 2
- 5-hydroxytryptamine receptor 2C 2
- Voltage-dependent L-type calcium channel subunit alpha-1C 2
- Cytochrome P450 2D6 2
- Sigma intracellular receptor 2 1
- Muscarinic acetylcholine receptor M2 1
- Muscarinic acetylcholine receptor M1 1
- Potassium voltage-gated channel subfamily H member 2 1
- Beta-2 adrenergic receptor 1
- Sodium channel protein type 5 subunit alpha 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- Alpha-2C adrenergic receptor 1
- Cytochrome P450 1A2 1
- ATP-binding cassette sub-family C member 2 1
- D(2) dopamine receptor 1
- Cytochrome P450 2C9 1
- 5-hydroxytryptamine receptor 1A 1
- 5-hydroxytryptamine receptor 2A 1
- D(1A) dopamine receptor 1
- Transporter 1
- Bile salt export pump 1
- ...
Publications 22▿
- Cell Mol Neurobiol 19: 467-89 (1999) 13
- Encephale 28: 350-5 (2002) 10
- J Pharmacol Exp Ther 283: 1305-22 (1997) 6
- Toxicol Sci 136: 216-41 (2013) 4
- J Pharmacol Exp Ther 226: 686-700 (1983) 3
- Eur J Pharmacol 340: 249-58 (1997) 3
- J Pharmacol Exp Ther 301: 1097-102 (2002) 3
- J Med Chem 63: 15187-15217 (2020) 3
- J Pharmacol Exp Ther 247: 1032-8 (1988) 3
- J Med Chem 27: 1508-15 (1984) 3
- Cardiovasc Res 91: 53-61 (2011) 3
- Neuropharmacology 32: 737-43 (1993) 2
- Drug Metab Dispos 40: 1778-84 (2012) 2
- Eur J Pharmacol 349: 129-32 (1998) 2
- Eur J Med Chem 220: (2021) 1
- J Med Chem 55: 5350-60 (2012) 1
- J Med Chem 43: 639-48 (2000) 1
- J Appl Toxicol 32: 858-66 (2012) 1
- Curr Drug Metab 6: 413-54 (2005) 1
- J Med Chem 46: 925-35 (2003) 1
- ACS Med Chem Lett 3: 1054-1058 (2012) 1
- J Med Chem 47: 907-14 (2004) 1
Institutions 17▿
- Emory University 18
- TBA 17
- Amgen 4
- Mcneil Pharmaceutical 3
- Soochow University 3
- Pfizer 3
- Mayo Clinic 3
- University of Oxford 3
- Harvard University 3
- Diakonhjemmet Hospital 2
- Boots Pharmaceuticals 2
- Mcgill University 2
- F. Hoffmann-La Roche 1
- Jagiellonian University 1
- Astrazeneca R&D 1
- Polish Academy of Sciences 1
- Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster 1
Affinity: 1.5 to 1.3E+5 nM▿
- Ki 56
- IC50 12
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1