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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 = 'BDBM78759'   
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))
BDBM78759
PNG
(6-amino-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-th...)
Show SMILES COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
Show InChI InChI=1S/C19H16N4O4S/c1-25-11-6-9(7-12(26-2)17(11)24)14-10(8-20)18(21)27-19-15(14)16(22-23-19)13-4-3-5-28-13/h3-7,10,14,21,24H,1-2H3,(H,22,23)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.47E+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))
BDBM78759
PNG
(6-amino-4-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(2-th...)
Show SMILES COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12
Show InChI InChI=1S/C19H16N4O4S/c1-25-11-6-9(7-12(26-2)17(11)24)14-10(8-20)18(21)27-19-15(14)16(22-23-19)13-4-3-5-28-13/h3-7,10,14,21,24H,1-2H3,(H,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.38E+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/Q2X34VX0
More data for this
Ligand-Target Pair