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BDBM44438 2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]pyrimidine-4,5-dione::2-methyl-3-(4-methylphenyl)chromeno[2,3-d]pyrimidine-4,5-dione::2-methyl-3-(p-tolyl)chromeno[2,3-d]pyrimidine-4,5-quinone::MLS000083790::SMR000047801::cid_666560

SMILES: Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O

InChI Key: InChIKey=WVNMAZCHHQLWIY-UHFFFAOYSA-N

Data: 9 IC50

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 9 hits for monomerid = 44438   
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
Eph receptor A4


(Mus musculus)
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sanford-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 (2008)


BindingDB Entry DOI: 10.7270/Q2P55KW4
More data for this
Ligand-Target Pair
Eph receptor A4


(Mus musculus)
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a>5.00E+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 (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2JD4V5T
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a 1.44E+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))
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a 779n/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
phosphomannomutase 2


(Homo sapiens (Human))
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified PMM2


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a 7.65E+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))
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a 1.40E+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/Q2FQ9V6B
More data for this
Ligand-Target Pair
Mannose-6-phosphate isomerase


(Homo sapiens (Human))
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a 7.20E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human purified phosphomannose isomerase


J Med Chem 54: 3661-8 (2011)


Article DOI: 10.1021/jm101401a
BindingDB Entry DOI: 10.7270/Q28C9WKP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM44438
PNG
(2-methyl-3-(4-methylphenyl)[1]benzopyrano[2,3-d]py...)
Show SMILES Cc1ccc(cc1)-n1c(C)nc2oc3ccccc3c(=O)c2c1=O
Show InChI InChI=1S/C19H14N2O3/c1-11-7-9-13(10-8-11)21-12(2)20-18-16(19(21)23)17(22)14-5-3-4-6-15(14)24-18/h3-10H,1-2H3
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n/an/a 1.13E+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