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SMILES: COCCNC(=S)NNC1=c2cc(C)cc(C)c2=NC1=O

InChI Key: InChIKey=JYUFYDLBMIWKQS-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 = 78849   
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))
BDBM78849
PNG
(1-[(2-keto-5,7-dimethyl-indol-3-yl)amino]-3-(2-met...)
Show SMILES COCCNC(=S)NNC1=c2cc(C)cc(C)c2=NC1=O |c:9,18|
Show InChI InChI=1S/C14H18N4O2S/c1-8-6-9(2)11-10(7-8)12(13(19)16-11)17-18-14(21)15-4-5-20-3/h6-7H,4-5H2,1-3H3,(H2,15,18,21)(H,16,17,19)
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 6.28E+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))
BDBM78849
PNG
(1-[(2-keto-5,7-dimethyl-indol-3-yl)amino]-3-(2-met...)
Show SMILES COCCNC(=S)NNC1=c2cc(C)cc(C)c2=NC1=O |c:9,18|
Show InChI InChI=1S/C14H18N4O2S/c1-8-6-9(2)11-10(7-8)12(13(19)16-11)17-18-14(21)15-4-5-20-3/h6-7H,4-5H2,1-3H3,(H2,15,18,21)(H,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 561n/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))
BDBM78849
PNG
(1-[(2-keto-5,7-dimethyl-indol-3-yl)amino]-3-(2-met...)
Show SMILES COCCNC(=S)NNC1=c2cc(C)cc(C)c2=NC1=O |c:9,18|
Show InChI InChI=1S/C14H18N4O2S/c1-8-6-9(2)11-10(7-8)12(13(19)16-11)17-18-14(21)15-4-5-20-3/h6-7H,4-5H2,1-3H3,(H2,15,18,21)(H,16,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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