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BDBM83920 MLS000710056::N'-(2,6-dipiperidinopyrimidin-4-yl)-3-phenyl-propionohydrazide::N'-[2,6-bis(1-piperidinyl)-4-pyrimidinyl]-3-phenylpropanehydrazide::N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenyl-propanehydrazide::N'-[2,6-di(piperidin-1-yl)pyrimidin-4-yl]-3-phenylpropanehydrazide::SMR000291590::cid_1109397

SMILES: O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1

InChI Key: InChIKey=JZRIETCEGKDUCH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 83920   
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
Caspase-9


(Homo sapiens (Human))
BDBM83920
PNG
(MLS000710056 | N'-(2,6-dipiperidinopyrimidin-4-yl)...)
Show SMILES O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C23H32N6O/c30-22(13-12-19-10-4-1-5-11-19)27-26-20-18-21(28-14-6-2-7-15-28)25-23(24-20)29-16-8-3-9-17-29/h1,4-5,10-11,18H,2-3,6-9,12-17H2,(H,27,30)(H,24,25,26)
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UniChem
PCBioAssay
n/an/a 3.02E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM83920
PNG
(MLS000710056 | N'-(2,6-dipiperidinopyrimidin-4-yl)...)
Show SMILES O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C23H32N6O/c30-22(13-12-19-10-4-1-5-11-19)27-26-20-18-21(28-14-6-2-7-15-28)25-23(24-20)29-16-8-3-9-17-29/h1,4-5,10-11,18H,2-3,6-9,12-17H2,(H,27,30)(H,24,25,26)
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n/an/a 3.62E+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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM83920
PNG
(MLS000710056 | N'-(2,6-dipiperidinopyrimidin-4-yl)...)
Show SMILES O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C23H32N6O/c30-22(13-12-19-10-4-1-5-11-19)27-26-20-18-21(28-14-6-2-7-15-28)25-23(24-20)29-16-8-3-9-17-29/h1,4-5,10-11,18H,2-3,6-9,12-17H2,(H,27,30)(H,24,25,26)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM2870
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM83920
PNG
(MLS000710056 | N'-(2,6-dipiperidinopyrimidin-4-yl)...)
Show SMILES O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C23H32N6O/c30-22(13-12-19-10-4-1-5-11-19)27-26-20-18-21(28-14-6-2-7-15-28)25-23(24-20)29-16-8-3-9-17-29/h1,4-5,10-11,18H,2-3,6-9,12-17H2,(H,27,30)(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2930RSV
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM83920
PNG
(MLS000710056 | N'-(2,6-dipiperidinopyrimidin-4-yl)...)
Show SMILES O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C23H32N6O/c30-22(13-12-19-10-4-1-5-11-19)27-26-20-18-21(28-14-6-2-7-15-28)25-23(24-20)29-16-8-3-9-17-29/h1,4-5,10-11,18H,2-3,6-9,12-17H2,(H,27,30)(H,24,25,26)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2P849HJ
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM83920
PNG
(MLS000710056 | N'-(2,6-dipiperidinopyrimidin-4-yl)...)
Show SMILES O=C(CCc1ccccc1)NNc1cc(nc(n1)N1CCCCC1)N1CCCCC1
Show InChI InChI=1S/C23H32N6O/c30-22(13-12-19-10-4-1-5-11-19)27-26-20-18-21(28-14-6-2-7-15-28)25-23(24-20)29-16-8-3-9-17-29/h1,4-5,10-11,18H,2-3,6-9,12-17H2,(H,27,30)(H,24,25,26)
PDB
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PC sid
UniChem
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n/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair