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BDBM76690 (6E)-4-nitro-6-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)hydrazo]methylidene]-1-cyclohexa-2,4-dienone::(6E)-4-nitro-6-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one::(6E)-4-nitro-6-[[N'-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)hydrazino]methylene]cyclohexa-2,4-dien-1-one::MLS001164335::SMR000539629::cid_5930611

SMILES: Oc1ccc(cc1CN=Nc1ncnc2n(ncc12)-c1ccccc1)[N+]([O-])=O

InChI Key: InChIKey=DTIJBVYNWLFURD-UHFFFAOYSA-N

Data: 3 IC50

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 = 76690   
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
SUMO-1-specific protease


(Homo sapiens (Human))
BDBM76690
PNG
((6E)-4-nitro-6-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimi...)
Show SMILES Oc1ccc(cc1CN=Nc1ncnc2n(ncc12)-c1ccccc1)[N+]([O-])=O |w:9.10|
Show InChI InChI=1S/C18H13N7O3/c26-16-7-6-14(25(27)28)8-12(16)9-21-23-17-15-10-22-24(18(15)20-11-19-17)13-4-2-1-3-5-13/h1-8,10-11,26H,9H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.13E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27H1H10
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM76690
PNG
((6E)-4-nitro-6-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimi...)
Show SMILES Oc1ccc(cc1CN=Nc1ncnc2n(ncc12)-c1ccccc1)[N+]([O-])=O |w:9.10|
Show InChI InChI=1S/C18H13N7O3/c26-16-7-6-14(25(27)28)8-12(16)9-21-23-17-15-10-22-24(18(15)20-11-19-17)13-4-2-1-3-5-13/h1-8,10-11,26H,9H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.44E+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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MS3R7H
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM76690
PNG
((6E)-4-nitro-6-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimi...)
Show SMILES Oc1ccc(cc1CN=Nc1ncnc2n(ncc12)-c1ccccc1)[N+]([O-])=O |w:9.10|
Show InChI InChI=1S/C18H13N7O3/c26-16-7-6-14(25(27)28)8-12(16)9-21-23-17-15-10-22-24(18(15)20-11-19-17)13-4-2-1-3-5-13/h1-8,10-11,26H,9H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+5n/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, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RJ4GZT
More data for this
Ligand-Target Pair