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BDBM34634 4-hydroximino-1-piperidino-2-(piperidinomethyl)pentan-3-one::4-hydroxyimino-1-(1-piperidinyl)-2-(1-piperidinylmethyl)-3-pentanone::4-hydroxyimino-1-piperidin-1-yl-2-(piperidin-1-ylmethyl)pentan-3-one::MLS000107124::SMR000111496::cid_6419294

SMILES: CC(NO)C(=O)C(CN1CCCCC1)=CN1CCCCC1

InChI Key: InChIKey=XIDCRZNICOTORZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 34634   
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
MPI protein


(Homo sapiens (Human))
BDBM34634
PNG
(4-hydroximino-1-piperidino-2-(piperidinomethyl)pen...)
Show SMILES CC(NO)C(=O)C(CN1CCCCC1)=CN1CCCCC1 |w:14.15|
Show InChI InChI=1S/C16H29N3O2/c1-14(17-21)16(20)15(12-18-8-4-2-5-9-18)13-19-10-6-3-7-11-19/h12,14,17,21H,2-11,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
C-C chemokine receptor type 6 (CCR6)


(Homo sapiens (Human))
BDBM34634
PNG
(4-hydroximino-1-piperidino-2-(piperidinomethyl)pen...)
Show SMILES CC(NO)C(=O)C(CN1CCCCC1)=CN1CCCCC1 |w:14.15|
Show InChI InChI=1S/C16H29N3O2/c1-14(17-21)16(20)15(12-18-8-4-2-5-9-18)13-19-10-6-3-7-11-19/h12,14,17,21H,2-11,13H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.66E+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(SBMRI, San Diego, CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q20P0XHD
More data for this
Ligand-Target Pair
Beta-galactosidase


(Escherichia coli)
BDBM34634
PNG
(4-hydroximino-1-piperidino-2-(piperidinomethyl)pen...)
Show SMILES CC(NO)C(=O)C(CN1CCCCC1)=CN1CCCCC1 |w:14.15|
Show InChI InChI=1S/C16H29N3O2/c1-14(17-21)16(20)15(12-18-8-4-2-5-9-18)13-19-10-6-3-7-11-19/h12,14,17,21H,2-11,13H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>6.66E+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(SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NG4P4X
More data for this
Ligand-Target Pair