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BDBM34678 2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyphenyl)ethanone::2-(1-phenyl-4-pyrazolyl)-1-(2,3,4-trihydroxyphenyl)ethanone::2-(1-phenylpyrazol-4-yl)-1-(2,3,4-trihydroxyphenyl)ethanone::2-(1-phenylpyrazol-4-yl)-1-[2,3,4-tris(oxidanyl)phenyl]ethanone::MLS000530746::SMR000135784::cid_805519

SMILES: Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O

InChI Key: InChIKey=DUNQZZMQXKCENE-UHFFFAOYSA-N

Data: 6 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 7 hits for monomerid = 34678   
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))
BDBM34678
PNG
(2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyph...)
Show SMILES Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H14N2O4/c20-14-7-6-13(16(22)17(14)23)15(21)8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10,20,22-23H,8H2
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PCBioAssay
n/an/a 4.69E+3n/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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM34678
PNG
(2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyph...)
Show SMILES Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H14N2O4/c20-14-7-6-13(16(22)17(14)23)15(21)8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10,20,22-23H,8H2
PDB
MMDB

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n/an/a 3.95E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM34678
PNG
(2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyph...)
Show SMILES Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H14N2O4/c20-14-7-6-13(16(22)17(14)23)15(21)8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10,20,22-23H,8H2
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n/an/a 3.45E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2CF9NHH
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM34678
PNG
(2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyph...)
Show SMILES Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H14N2O4/c20-14-7-6-13(16(22)17(14)23)15(21)8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10,20,22-23H,8H2
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n/an/a 3.65E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens (Human))
BDBM34678
PNG
(2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyph...)
Show SMILES Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H14N2O4/c20-14-7-6-13(16(22)17(14)23)15(21)8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10,20,22-23H,8H2
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n/an/an/an/a 1.00E+5n/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/Q26Q1VPD
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM34678
PNG
(2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyph...)
Show SMILES Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H14N2O4/c20-14-7-6-13(16(22)17(14)23)15(21)8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10,20,22-23H,8H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
Alkaline phosphatase placental-like


(Homo sapiens (Human))
BDBM34678
PNG
(2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyph...)
Show SMILES Oc1ccc(C(=O)Cc2cnn(c2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H14N2O4/c20-14-7-6-13(16(22)17(14)23)15(21)8-11-9-18-19(10-11)12-4-2-1-3-5-12/h1-7,9-10,20,22-23H,8H2
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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 (2009)


BindingDB Entry DOI: 10.7270/Q29S1PG8
More data for this
Ligand-Target Pair