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BDBM43396 (E)-N-(5-Methyl-2H-[1,2,4]triazol-3-yl)-3-phenyl-acrylamide::(E)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-propenamide::(E)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-acrylamide::(E)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-prop-2-enamide::(E)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-phenylprop-2-enamide::MLS000591663::SMR000218688::cid_946304

SMILES: Cc1nnc(NC(=O)C=Cc2ccccc2)[nH]1

InChI Key: InChIKey=PYAVLKPKMQHZNE-UHFFFAOYSA-N

Data: 3 EC50

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 = 43396   
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
MDM2-MDMX


(Homo sapiens (Human))
BDBM43396
PNG
((E)-N-(5-Methyl-2H-[1,2,4]triazol-3-yl)-3-phenyl-a...)
Show SMILES Cc1nnc(NC(=O)C=Cc2ccccc2)[nH]1 |w:9.9|
Show InChI InChI=1S/C12H12N4O/c1-9-13-12(16-15-9)14-11(17)8-7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,14,15,16,17)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
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Similars

PCBioAssay
n/an/an/an/a 1.09E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21J984Z
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM43396
PNG
((E)-N-(5-Methyl-2H-[1,2,4]triazol-3-yl)-3-phenyl-a...)
Show SMILES Cc1nnc(NC(=O)C=Cc2ccccc2)[nH]1 |w:9.9|
Show InChI InChI=1S/C12H12N4O/c1-9-13-12(16-15-9)14-11(17)8-7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,14,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.66E+3n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2G73C3D
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM43396
PNG
((E)-N-(5-Methyl-2H-[1,2,4]triazol-3-yl)-3-phenyl-a...)
Show SMILES Cc1nnc(NC(=O)C=Cc2ccccc2)[nH]1 |w:9.9|
Show InChI InChI=1S/C12H12N4O/c1-9-13-12(16-15-9)14-11(17)8-7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,13,14,15,16,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.52E+7n/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2KW5DG0
More data for this
Ligand-Target Pair