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BDBM43489 (E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenyl-prop-2-en-1-one::(E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylprop-2-en-1-one::(E)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-phenyl-2-propen-1-one::(E)-3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenyl-prop-2-en-1-one::3-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenylprop-2-en-1-one::MLS000851115::SMR000457358::cid_5713202

SMILES: Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2)n1

InChI Key: InChIKey=MKKFBMMVSZMAGN-CMDGGOBGSA-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 = 43489   
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))
BDBM43489
PNG
((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-pheny...)
Show SMILES Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2)n1
Show InChI InChI=1S/C15H14N2OS/c1-11-10-12(2)17-15(16-11)19-9-8-14(18)13-6-4-3-5-7-13/h3-10H,1-2H3/b9-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.32E+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))
BDBM43489
PNG
((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-pheny...)
Show SMILES Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2)n1
Show InChI InChI=1S/C15H14N2OS/c1-11-10-12(2)17-15(16-11)19-9-8-14(18)13-6-4-3-5-7-13/h3-10H,1-2H3/b9-8+
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 880n/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))
BDBM43489
PNG
((E)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-pheny...)
Show SMILES Cc1cc(C)nc(S\C=C\C(=O)c2ccccc2)n1
Show InChI InChI=1S/C15H14N2OS/c1-11-10-12(2)17-15(16-11)19-9-8-14(18)13-6-4-3-5-7-13/h3-10H,1-2H3/b9-8+
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 790n/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