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PubChem AID 651733

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
perilipin-5


(Homo sapiens)
BDBM70875
PNG
((Z)-2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-3...)
Show SMILES Oc1cccc(\C=C(\C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3s2)c1
Show InChI InChI=1S/C22H15ClN2O2S/c23-15-8-10-16(11-9-15)24-21(27)18(13-14-4-3-5-17(26)12-14)22-25-19-6-1-2-7-20(19)28-22/h1-13,26H,(H,24,27)/b18-13-
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n/an/a 1.71E+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/Q2ZP44QS
More data for this
Ligand-Target Pair
perilipin-5


(Homo sapiens)
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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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
perilipin-5


(Homo sapiens)
BDBM94502
PNG
(3-[6-[(2-chlorobenzyl)amino]-[1,2,4]triazolo[4,3-b...)
Show SMILES CC(CCc1ccco1)NC(=O)CCc1nnc2ccc(NCc3ccccc3Cl)nn12
Show InChI InChI=1S/C23H25ClN6O2/c1-16(8-9-18-6-4-14-32-18)26-23(31)13-12-22-28-27-21-11-10-20(29-30(21)22)25-15-17-5-2-3-7-19(17)24/h2-7,10-11,14,16H,8-9,12-13,15H2,1H3,(H,25,29)(H,26,31)
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n/an/a 3.74E+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
perilipin-5


(Homo sapiens)
BDBM65892
PNG
(5-chloranyl-2-[(4-methylphenyl)methylsulfonyl]-N-(...)
Show SMILES CSc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1
Show InChI InChI=1S/C16H14ClN5O3S3/c1-9-3-5-10(6-4-9)8-28(24,25)15-18-7-11(17)12(19-15)13(23)20-14-21-22-16(26-2)27-14/h3-7H,8H2,1-2H3,(H,20,21,23)
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n/an/a 3.88E+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
perilipin-5


(Homo sapiens)
BDBM94500
PNG
((E)-2-butenedioic acid;1-[2-(dimethylamino)ethylam...)
Show SMILES COc1cc(C)c2sc3ccccc3c(=O)c2c1NCCN(C)C
Show InChI InChI=1S/C19H22N2O2S/c1-12-11-14(23-4)17(20-9-10-21(2)3)16-18(22)13-7-5-6-8-15(13)24-19(12)16/h5-8,11,20H,9-10H2,1-4H3
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n/an/a 3.94E+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
perilipin-5


(Homo sapiens)
BDBM94501
PNG
(2-(butoxycarbonylamino)benzene-1,4-dicarboxylic ac...)
Show SMILES CCCCOC(=O)Nc1cc(ccc1C(=O)OC)C(=O)OC
Show InChI InChI=1S/C15H19NO6/c1-4-5-8-22-15(19)16-12-9-10(13(17)20-2)6-7-11(12)14(18)21-3/h6-7,9H,4-5,8H2,1-3H3,(H,16,19)
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n/an/a 4.50E+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
perilipin-5


(Homo sapiens)
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 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
perilipin-5


(Homo sapiens)
BDBM94498
PNG
(2-cyclopropyl-2-[3-(2-furanyl)-2-oxo-1-quinoxaliny...)
Show SMILES CCCCCNC(=O)C(C1CC1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C22H25N3O3/c1-2-3-6-13-23-21(26)20(15-11-12-15)25-17-9-5-4-8-16(17)24-19(22(25)27)18-10-7-14-28-18/h4-5,7-10,14-15,20H,2-3,6,11-13H2,1H3,(H,23,26)
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n/an/a 9.99E+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
perilipin-5


(Homo sapiens)
BDBM50091987
PNG
(3-Hydroxy-naphthalene-2-carboxylic acid (4-methoxy...)
Show SMILES COc1ccc(NC(=O)c2cc3ccccc3cc2O)cc1
Show InChI InChI=1S/C18H15NO3/c1-22-15-8-6-14(7-9-15)19-18(21)16-10-12-4-2-3-5-13(12)11-17(16)20/h2-11,20H,1H3,(H,19,21)
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n/an/a 1.24E+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/Q2ZP44QS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%