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SMILES: Cc1nc(N)sc1C(=O)NN=Cc1cccnc1

InChI Key: InChIKey=GWDCMUIJBXMRLQ-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 = 78805   
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))
BDBM78805
PNG
(2-amino-4-methyl-N-(3-pyridinylmethylideneamino)-5...)
Show SMILES Cc1nc(N)sc1C(=O)NN=Cc1cccnc1
Show InChI InChI=1S/C11H11N5OS/c1-7-9(18-11(12)15-7)10(17)16-14-6-8-3-2-4-13-5-8/h2-6H,1H3,(H2,12,15)(H,16,17)
PDB
MMDB

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B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.68E+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))
BDBM78805
PNG
(2-amino-4-methyl-N-(3-pyridinylmethylideneamino)-5...)
Show SMILES Cc1nc(N)sc1C(=O)NN=Cc1cccnc1
Show InChI InChI=1S/C11H11N5OS/c1-7-9(18-11(12)15-7)10(17)16-14-6-8-3-2-4-13-5-8/h2-6H,1H3,(H2,12,15)(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.89E+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
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM78805
PNG
(2-amino-4-methyl-N-(3-pyridinylmethylideneamino)-5...)
Show SMILES Cc1nc(N)sc1C(=O)NN=Cc1cccnc1
Show InChI InChI=1S/C11H11N5OS/c1-7-9(18-11(12)15-7)10(17)16-14-6-8-3-2-4-13-5-8/h2-6H,1H3,(H2,12,15)(H,16,17)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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