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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 = 'BDBM78627'   
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))
BDBM78627
PNG
(1-[(Z)-[2-oxidanylidene-1-(3-oxidanylidene-1H-2-be...)
Show SMILES NC(=S)NN=C1C(=O)N(C2OC(=O)c3ccccc23)c2ccccc12 |w:4.3|
Show InChI InChI=1S/C17H12N4O3S/c18-17(25)20-19-13-11-7-3-4-8-12(11)21(14(13)22)15-9-5-1-2-6-10(9)16(23)24-15/h1-8,15H,(H3,18,20,25)
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.38E+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 (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78627
PNG
(1-[(Z)-[2-oxidanylidene-1-(3-oxidanylidene-1H-2-be...)
Show SMILES NC(=S)NN=C1C(=O)N(C2OC(=O)c3ccccc23)c2ccccc12 |w:4.3|
Show InChI InChI=1S/C17H12N4O3S/c18-17(25)20-19-13-11-7-3-4-8-12(11)21(14(13)22)15-9-5-1-2-6-10(9)16(23)24-15/h1-8,15H,(H3,18,20,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
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 (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair