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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ubiquitin-conjugating enzyme E2 N' and Ligand = 'BDBM43211'   
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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM43211
PNG
(6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N
Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.55E+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/Q2X34VX0
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM43211
PNG
(6-(4-Methoxy-phenyl)-2-piperazin-1-yl-pyrimidine-4...)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N
Show InChI InChI=1S/C16H17N5O/c1-22-14-4-2-12(3-5-14)15-10-13(11-17)19-16(20-15)21-8-6-18-7-9-21/h2-5,10,18H,6-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.59E+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/Q2SB4462
More data for this
Ligand-Target Pair