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BDBM94499 3-(diphenylmethyl)oxy-N,N-diethyl-1-butanamine;2-hydroxypropane-1,2,3-tricarboxylic acid::3-(diphenylmethyl)oxy-N,N-diethyl-butan-1-amine;2-oxidanylpropane-1,2,3-tricarboxylic acid::3-benzhydryloxy-N,N-diethylbutan-1-amine;2-hydroxypropane-1,2,3-tricarboxylic acid::3-benzhydryloxybutyl(diethyl)amine;citric acid::MLS000718009::SMR000279577::cid_16187828

SMILES: CCN(CC)CCC(C)OC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=XXCWBAVZJKEYFK-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 94499   
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
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
BDBM94499
PNG
(3-(diphenylmethyl)oxy-N,N-diethyl-1-butanamine;2-h...)
Show SMILES CCN(CC)CCC(C)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29NO/c1-4-22(5-2)17-16-18(3)23-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,4-5,16-17H2,1-3H3
PDB
MMDB

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PCBioAssay
n/an/a 2.07E+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))
BDBM94499
PNG
(3-(diphenylmethyl)oxy-N,N-diethyl-1-butanamine;2-h...)
Show SMILES CCN(CC)CCC(C)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29NO/c1-4-22(5-2)17-16-18(3)23-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,4-5,16-17H2,1-3H3
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antibodypedia
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PC cid
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PCBioAssay
n/an/a 3.43E+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))
BDBM94499
PNG
(3-(diphenylmethyl)oxy-N,N-diethyl-1-butanamine;2-h...)
Show SMILES CCN(CC)CCC(C)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29NO/c1-4-22(5-2)17-16-18(3)23-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,4-5,16-17H2,1-3H3
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PCBioAssay
n/an/a 2.60E+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))
BDBM94499
PNG
(3-(diphenylmethyl)oxy-N,N-diethyl-1-butanamine;2-h...)
Show SMILES CCN(CC)CCC(C)OC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H29NO/c1-4-22(5-2)17-16-18(3)23-21(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18,21H,4-5,16-17H2,1-3H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.29E+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