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BDBM88762 4-nitro-2-(4-quinazolinylamino)phenol::4-nitro-2-(quinazolin-4-ylamino)phenol::MLS000621474::SMR000299571::cid_3821091

SMILES: Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O

InChI Key: InChIKey=QLSMJIVZRRKZTM-UHFFFAOYSA-N

Data: 7 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 8 hits for monomerid = 88762   
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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM88762
PNG
(4-nitro-2-(4-quinazolinylamino)phenol | 4-nitro-2-...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c19-13-6-5-9(18(20)21)7-12(13)17-14-10-3-1-2-4-11(10)15-8-16-14/h1-8,19H,(H,15,16,17)
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PCBioAssay
n/an/an/an/a>5.30E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88762
PNG
(4-nitro-2-(4-quinazolinylamino)phenol | 4-nitro-2-...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c19-13-6-5-9(18(20)21)7-12(13)17-14-10-3-1-2-4-11(10)15-8-16-14/h1-8,19H,(H,15,16,17)
PDB
MMDB

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B.MOAD
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n/an/a 1.33E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HGT
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM88762
PNG
(4-nitro-2-(4-quinazolinylamino)phenol | 4-nitro-2-...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c19-13-6-5-9(18(20)21)7-12(13)17-14-10-3-1-2-4-11(10)15-8-16-14/h1-8,19H,(H,15,16,17)
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n/an/a 1.77E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2959G44
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM88762
PNG
(4-nitro-2-(4-quinazolinylamino)phenol | 4-nitro-2-...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c19-13-6-5-9(18(20)21)7-12(13)17-14-10-3-1-2-4-11(10)15-8-16-14/h1-8,19H,(H,15,16,17)
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n/an/a 1.61E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM88762
PNG
(4-nitro-2-(4-quinazolinylamino)phenol | 4-nitro-2-...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c19-13-6-5-9(18(20)21)7-12(13)17-14-10-3-1-2-4-11(10)15-8-16-14/h1-8,19H,(H,15,16,17)
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n/an/a 7.06E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM88762
PNG
(4-nitro-2-(4-quinazolinylamino)phenol | 4-nitro-2-...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c19-13-6-5-9(18(20)21)7-12(13)17-14-10-3-1-2-4-11(10)15-8-16-14/h1-8,19H,(H,15,16,17)
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n/an/a>8.00E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2KH0KWR
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM88762
PNG
(4-nitro-2-(4-quinazolinylamino)phenol | 4-nitro-2-...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c19-13-6-5-9(18(20)21)7-12(13)17-14-10-3-1-2-4-11(10)15-8-16-14/h1-8,19H,(H,15,16,17)
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2FQ9V6B
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM88762
PNG
(4-nitro-2-(4-quinazolinylamino)phenol | 4-nitro-2-...)
Show SMILES Oc1ccc(cc1Nc1ncnc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C14H10N4O3/c19-13-6-5-9(18(20)21)7-12(13)17-14-10-3-1-2-4-11(10)15-8-16-14/h1-8,19H,(H,15,16,17)
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n/an/a 1.98E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2T43RPN
More data for this
Ligand-Target Pair