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1 similar compounds to monomer 90967

Compile data set for download or QSAR
Wt: 452.9
BDBM94502
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 94502   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hepatocyte nuclear factor 4-alpha


(Homo sapiens (Human))
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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MMDB

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PC cid
PC sid
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PCBioAssay
n/an/a>3.98E+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))
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)
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/a 8.98E+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))
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)
Reactome pathway
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UniProtKB/SwissProt

antibodypedia
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PC cid
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UniChem

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PCBioAssay
n/an/a 2.03E+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))
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)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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