BDBM61402 (Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)piperidine::(Z)-but-2-enedioic acid;2-(2,2-dicyclohexylethyl)piperidine::2-(2,2-dicyclohexylethyl)piperidine;maleic acid::2-[2,2-DICYCLOHEXYLETHYL]PIPERIDINE MALEATE SALT::CHEMBL75880::MLS000028601::Perhexiline::SMR000058713::cid_5284439::perhexiline maleate

SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1

InChI Key InChIKey=CYXKNKQEMFBLER-UHFFFAOYSA-N

Data  19 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 61402   

TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  7.76E+3nMAssay Description:Inhibition of human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Institut Pasteur Korea

LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  6.38E+3nMAssay Description:Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNACHT, LRR and PYD domains-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  1.29E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  1.59E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  7.76E+3nMAssay Description:Inhibition of human Potassium channel HERG expressed in mammalian cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  7.80E+3nMAssay Description:K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  7.76E+3nMAssay Description:Inhibition of partially open human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  7.76E+3nMAssay Description:Inhibition of human ERG in MCF7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarnitine O-palmitoyltransferase 2, mitochondrial(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  7.28E+4nMAssay Description:Inhibition of human CPT2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarnitine O-palmitoyltransferase 1, muscle isoform(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CPT1BMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarnitine O-palmitoyltransferase 1, liver isoform(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CPT1AMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetCarnitine O-palmitoyltransferase 2, mitochondrial(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  7.90E+4nMAssay Description:Inhibition of CPT2 in rat mitochondria using [3H]carnitine by radiometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarnitine O-palmitoyltransferase 1, liver isoform(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  1.48E+5nMAssay Description:Inhibition of CPT1 in rat liver mitochondria using [3H]carnitine by radiometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarnitine O-palmitoyltransferase 1, liver isoform(Rattus norvegicus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  7.70E+4nMAssay Description:Inhibition of CPT1 in rat cardiac mitochondria using [3H]carnitine by radiometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Tcg Lifesciences

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  7.76E+3nMAssay Description:Inhibition of human ERG expressed in CHO cells by whole cell patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  1.44E+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 ArticlePubMed
TargetCarnitine O-palmitoyltransferase 1, muscle isoform(Rattus norvegicus)
University Of Aberdeen

Curated by ChEMBL
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of Wistar rat heart mitochondrial CPT-1 assessed as reduction in conversion of palmitoyl CoA and L-carnitine into palmitoylcarnitine prein...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetG-protein coupled receptor 55(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61402((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Affinity DataIC50:  3.19E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay