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BDBM82596 2-[4-Butyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-furan-2-ylmethyl-acetamide::2-[[4-butyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide::2-[[4-butyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide::2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide::2-[[4-butyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide::MLS000027479::SMR000005704::cid_654558

SMILES: CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C

InChI Key: InChIKey=XDNJVLBRMYHSFC-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 82596   
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
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1


(Homo sapiens (Human))
BDBM82596
PNG
(2-[4-Butyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triaz...)
Show SMILES CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C
Show InChI InChI=1S/C18H22N4O3S/c1-3-4-8-22-17(15-7-10-24-13(15)2)20-21-18(22)26-12-16(23)19-11-14-6-5-9-25-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,23)
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MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 6.25E+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 (2011)


Article DOI: 10.1016/j.bioorg.2015.08.001
BindingDB Entry DOI: 10.7270/Q2V986KM
More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM82596
PNG
(2-[4-Butyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triaz...)
Show SMILES CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C
Show InChI InChI=1S/C18H22N4O3S/c1-3-4-8-22-17(15-7-10-24-13(15)2)20-21-18(22)26-12-16(23)19-11-14-6-5-9-25-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,23)
PDB
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NCI pathway
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PCBioAssay
n/an/a 1.29E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2736PH3
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM82596
PNG
(2-[4-Butyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triaz...)
Show SMILES CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C
Show InChI InChI=1S/C18H22N4O3S/c1-3-4-8-22-17(15-7-10-24-13(15)2)20-21-18(22)26-12-16(23)19-11-14-6-5-9-25-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,23)
KEGG

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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.82E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q24B2ZW9
More data for this
Ligand-Target Pair
perilipin-1


(Homo sapiens (Human))
BDBM82596
PNG
(2-[4-Butyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triaz...)
Show SMILES CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C
Show InChI InChI=1S/C18H22N4O3S/c1-3-4-8-22-17(15-7-10-24-13(15)2)20-21-18(22)26-12-16(23)19-11-14-6-5-9-25-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,23)
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n/an/a 4.71E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2CV4GBF
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens (Human))
BDBM82596
PNG
(2-[4-Butyl-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triaz...)
Show SMILES CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccoc1C
Show InChI InChI=1S/C18H22N4O3S/c1-3-4-8-22-17(15-7-10-24-13(15)2)20-21-18(22)26-12-16(23)19-11-14-6-5-9-25-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,19,23)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.50E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2ZP44QS
More data for this
Ligand-Target Pair