BDBM50069447 1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one::2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one::CHEMBL623::NEFAZODONE::US9138393, Nefazodone HCl::US9144538, Nefazodone HCl

SMILES CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CCOc1ccccc1

InChI Key InChIKey=VRBKIVRKKCLPHA-UHFFFAOYSA-N

Data  43 KI  16 IC50  3 Kd

  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 62 hits for monomerid = 50069447   

TargetBile salt export pump(Human)
Norman Drug Discovery Training and Consulting

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of human BSEP expressed in HEK293 cell membrane vesicles assessed as reduction in 3H-TCA uptake incubated for 5 mins by radiodetection met...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 1.00E+4nMAssay Description:A commercially available P450-GLO Assay kit (Promega Corporation, Madison Wis.) is used to screen various compounds for CYP3A4A inhibition activity. ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 1.00E+4nMAssay Description:Cytochrome P450 is a large and diverse group of enzymes that catalyze the oxidation of organic substances. Some members of the CYP family contribute ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetBile salt export pump(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 1.74E+4nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Norman Drug Discovery Training and Consulting

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 4.20E+3nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKd:  360nMAssay Description:Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDATMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKd:  360nMAssay Description:Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKd:  200nMAssay Description:Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter -hSERTMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 15nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
The Procter & Gamble

US Patent
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 1.50E+3nMAssay Description:Competitive inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetATP-dependent translocase ABCB1(Human)
Tufts University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 4.70E+3nMAssay Description:TP_TRANSPORTER: inhibition of Rhodamine 123 transepithelial transport (basal to apical) (R123: 5 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Norman Drug Discovery Training and Consulting

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell membrane vesicles assessed as reduction in ATP or AMP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Norman Drug Discovery Training and Consulting

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 6.10E+3nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Norman Drug Discovery Training and Consulting

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 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
In DepthDetails Article
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 7.10E+4nMAssay 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
In DepthDetails Article
PubMed
TargetBile salt export pump(Human)
Norman Drug Discovery Training and Consulting

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 6.11E+3nMAssay 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
In DepthDetails Article
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 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
In DepthDetails Article
PubMed
TargetAcetylcholinesterase(Human)
Prin. K. M. Kundnani College of Pharmacy

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataIC50: 1.04E+3nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  5.5nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Green Cross

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  5.80nMAssay Description:Binding affinity to 5-HT2AMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  7nMAssay Description:Binding affinity to rat 5HT2A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  7.10nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  10nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  26nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistamine H1 receptor(Guinea pig)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  30nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  42nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  48nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  52nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  52nMAssay Description:Binding affinity to rat 5HT1A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  68nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  72nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Mayo Clinic

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  80nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  84nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  110nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  137nMAssay Description:Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  180nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  200nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  220nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetSodium-dependent serotonin transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  290nMAssay Description:Binding affinity to SERTMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  360nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  360nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetHistamine H1 receptor(Rat)
TBA

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  370nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  459nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  470nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  549nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  555nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetTransporter(Rat)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  570nMAssay Description:Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Hong Kong University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  618nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Emory University

Curated by PDSP Ki Database
LigandPNGBDBM50069447(2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-e...)
Affinity DataKi:  640nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
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