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BDBM34748 1,5-Dimethyl-4-(4-oxo-cyclohexa-2,5-dienylideneamino)-2-phenyl-1,2-dihydro-pyrazol-3-one::1,5-dimethyl-4-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)amino]-2-phenyl-pyrazol-3-one::1,5-dimethyl-4-[(4-oxo-1-cyclohexa-2,5-dienylidene)amino]-2-phenyl-3-pyrazolone::1,5-dimethyl-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]-2-phenylpyrazol-3-one::4-[(4-ketocyclohexa-2,5-dien-1-ylidene)amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one::MLS000563961::SMR000173866::cid_3091015

SMILES: [#6]-c1c(\[#7]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6]

InChI Key: InChIKey=OBIVSSBPXGHUBC-UHFFFAOYSA-N

Data: 2 IC50  1 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 = 34748   
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
MPI protein


(Homo sapiens (Human))
BDBM34748
PNG
(1,5-Dimethyl-4-(4-oxo-cyclohexa-2,5-dienylideneami...)
Show SMILES [#6]-c1c(\[#7]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6] |c:5,9|
Show InChI InChI=1S/C17H15N3O2/c1-12-16(18-13-8-10-15(21)11-9-13)17(22)20(19(12)2)14-6-4-3-5-7-14/h3-11H,1-2H3
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PCBioAssay
n/an/a 3.16E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM34748
PNG
(1,5-Dimethyl-4-(4-oxo-cyclohexa-2,5-dienylideneami...)
Show SMILES [#6]-c1c(\[#7]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6] |c:5,9|
Show InChI InChI=1S/C17H15N3O2/c1-12-16(18-13-8-10-15(21)11-9-13)17(22)20(19(12)2)14-6-4-3-5-7-14/h3-11H,1-2H3
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PCBioAssay
n/an/an/an/a 6.96E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
plectin 1


(Homo sapiens (Human))
BDBM34748
PNG
(1,5-Dimethyl-4-(4-oxo-cyclohexa-2,5-dienylideneami...)
Show SMILES [#6]-c1c(\[#7]=[#6]-2\[#6]=[#6]-[#6](=O)-[#6]=[#6]-2)c(=O)n(-c2ccccc2)n1-[#6] |c:5,9|
Show InChI InChI=1S/C17H15N3O2/c1-12-16(18-13-8-10-15(21)11-9-13)17(22)20(19(12)2)14-6-4-3-5-7-14/h3-11H,1-2H3
PDB
MMDB

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PCBioAssay
n/an/a 2.00E+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 (2009)


BindingDB Entry DOI: 10.7270/Q2QZ28D7
More data for this
Ligand-Target Pair