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SMILES: COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC

InChI Key: InChIKey=ZSLHYHXQTPUMHR-UHFFFAOYSA-N

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 = 78619   
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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78619
PNG
(2-amino-N'-(2,3-dimethoxybenzylidene)-4-methyl...)
Show SMILES COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC
Show InChI InChI=1S/C14H16N4O3S/c1-8-12(22-14(15)17-8)13(19)18-16-7-9-5-4-6-10(20-2)11(9)21-3/h4-7H,1-3H3,(H2,15,17)(H,18,19)
PDB
MMDB

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PC sid
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PCBioAssay
n/an/a 965n/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))
BDBM78619
PNG
(2-amino-N'-(2,3-dimethoxybenzylidene)-4-methyl...)
Show SMILES COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC
Show InChI InChI=1S/C14H16N4O3S/c1-8-12(22-14(15)17-8)13(19)18-16-7-9-5-4-6-10(20-2)11(9)21-3/h4-7H,1-3H3,(H2,15,17)(H,18,19)
PDB
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PCBioAssay
n/an/a 947n/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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM78619
PNG
(2-amino-N'-(2,3-dimethoxybenzylidene)-4-methyl...)
Show SMILES COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC
Show InChI InChI=1S/C14H16N4O3S/c1-8-12(22-14(15)17-8)13(19)18-16-7-9-5-4-6-10(20-2)11(9)21-3/h4-7H,1-3H3,(H2,15,17)(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>2.00E+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/Q25D8Q92
More data for this
Ligand-Target Pair