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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 = 'BDBM79351'   
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))
BDBM79351
PNG
(MLS002473464 | SMR001397632 | cid_44202137)
Show SMILES C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(nn1)[C@@H](N)CCCCN
Show InChI InChI=1S/C40H68N18O6/c1-3-21-62-23-25-64-26-24-63-22-12-45-38-46-39(55-17-13-53(14-18-55)36(60)34(9-5-7-11-42)57-28-31(27-43)49-51-57)48-40(47-38)56-19-15-54(16-20-56)37(61)35(30(2)59)58-29-33(50-52-58)32(44)8-4-6-10-41/h1,28-30,32,34-35,59H,4-27,41-44H2,2H3,(H,45,46,47,48)/t30-,32+,34+,35?/m1/s1
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.70E+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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM79351
PNG
(MLS002473464 | SMR001397632 | cid_44202137)
Show SMILES C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(nn1)[C@@H](N)CCCCN
Show InChI InChI=1S/C40H68N18O6/c1-3-21-62-23-25-64-26-24-63-22-12-45-38-46-39(55-17-13-53(14-18-55)36(60)34(9-5-7-11-42)57-28-31(27-43)49-51-57)48-40(47-38)56-19-15-54(16-20-56)37(61)35(30(2)59)58-29-33(50-52-58)32(44)8-4-6-10-41/h1,28-30,32,34-35,59H,4-27,41-44H2,2H3,(H,45,46,47,48)/t30-,32+,34+,35?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.71E+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