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SMILES: C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1

InChI Key: InChIKey=CYXKNKQEMFBLER-UHFFFAOYSA-N

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 19 hits for monomerid = 61402   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 7.76E+3n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 6.38E+3n/an/an/an/an/an/a



Institut Pasteur Korea



Assay 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× ...

Antimicrob Agents Chemother 64: (2020)


Article DOI: 10.1128/AAC.00819-20
BindingDB Entry DOI: 10.7270/Q22N54QR
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...

PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 1


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 1.29E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q22Z140X
More data for this
Ligand-Target Pair
Caspase-1


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 1.59E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TD9VTQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 7.76E+3n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Potassium channel HERG expressed in mammalian cells

Bioorg Med Chem Lett 13: 2773-5 (2003)


BindingDB Entry DOI: 10.7270/Q2QZ2BGZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1

J Med Chem 45: 3844-53 (2002)


BindingDB Entry DOI: 10.7270/Q2NC61X3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 7.76E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of partially open human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel)

Bioorg Med Chem Lett 15: 1737-41 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.008
BindingDB Entry DOI: 10.7270/Q2FT8NCR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 7.76E+3n/an/an/an/an/an/a



CASMedChem Laboratory

Curated by ChEMBL


Assay Description
Inhibition of human ERG in MCF7 cells

Eur J Med Chem 44: 1926-32 (2009)


Article DOI: 10.1016/j.ejmech.2008.11.009
BindingDB Entry DOI: 10.7270/Q2TM7CCD
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 2, mitochondrial


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 7.28E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CPT2

J Med Chem 54: 3109-52 (2011)


Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CPT1B

J Med Chem 54: 3109-52 (2011)


Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CPT1A

J Med Chem 54: 3109-52 (2011)


Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 2, mitochondrial


(Rattus norvegicus)		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 7.90E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CPT2 in rat mitochondria using [3H]carnitine by radiometric method

J Med Chem 54: 3109-52 (2011)


Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 1.48E+5n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CPT1 in rat liver mitochondria using [3H]carnitine by radiometric method

J Med Chem 54: 3109-52 (2011)


Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 7.70E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inhibition of CPT1 in rat cardiac mitochondria using [3H]carnitine by radiometric method

J Med Chem 54: 3109-52 (2011)


Article DOI: 10.1021/jm100809g
BindingDB Entry DOI: 10.7270/Q29K4CDQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 7.76E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique

Bioorg Med Chem 16: 6252-60 (2008)


Article DOI: 10.1016/j.bmc.2008.04.028
BindingDB Entry DOI: 10.7270/Q25D8T25
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 1.44E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...

Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, muscle isoform


(Rattus norvegicus)		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Kosterlitz Centre for Therapeutics, University of Aberdeen , Foresterhill, Aberdeen, AB25 2ZD, U.K.

Curated by ChEMBL


Assay Description
Inhibition of rat heart mitochondrial CPT-1

J Med Chem 60: 2780-2789 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01592
BindingDB Entry DOI: 10.7270/Q20867SV
More data for this
Ligand-Target Pair
G-protein coupled receptor 55


(Homo sapiens (Human))		BDBM61402
PNG
((Z)-2-butenedioic acid;2-(2,2-dicyclohexylethyl)pi...)
Show SMILES C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1
Show InChI InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2
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n/an/a 3.19E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2348HSG
More data for this
Ligand-Target Pair