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BDBM81372 SW19

SMILES: Cc1ccccc1-n1c(Cn2nc(-c3cccc4[nH]ccc34)c3c(N)cccc23)nc2cccc(C)c2c1=O

InChI Key: InChIKey=BQZLGUUJACDHDX-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 81372   
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM81372
PNG
(SW19)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc4[nH]ccc34)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;.39,-6.18,;-.7,-7.26,;-2.19,-6.87,;-2.59,-5.38,;-3.96,-4.68,;-3.72,-3.16,;-2.2,-2.92,;-1.5,-4.29,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)|
Show InChI InChI=1S/C32H26N6O/c1-19-8-3-4-14-26(19)38-28(35-25-13-5-9-20(2)29(25)32(38)39)18-37-27-15-7-11-23(33)30(27)31(36-37)22-10-6-12-24-21(22)16-17-34-24/h3-17,34H,18,33H2,1-2H3
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Article
PubMed
n/an/a>9.00E+4n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.


Chem Biol 17: 123-34 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.010
BindingDB Entry DOI: 10.7270/Q2CR5RVT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM81372
PNG
(SW19)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc4[nH]ccc34)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;.39,-6.18,;-.7,-7.26,;-2.19,-6.87,;-2.59,-5.38,;-3.96,-4.68,;-3.72,-3.16,;-2.2,-2.92,;-1.5,-4.29,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)|
Show InChI InChI=1S/C32H26N6O/c1-19-8-3-4-14-26(19)38-28(35-25-13-5-9-20(2)29(25)32(38)39)18-37-27-15-7-11-23(33)30(27)31(36-37)22-10-6-12-24-21(22)16-17-34-24/h3-17,34H,18,33H2,1-2H3
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Article
PubMed
n/an/a 376n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.


Chem Biol 17: 123-34 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.010
BindingDB Entry DOI: 10.7270/Q2CR5RVT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM81372
PNG
(SW19)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc4[nH]ccc34)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;.39,-6.18,;-.7,-7.26,;-2.19,-6.87,;-2.59,-5.38,;-3.96,-4.68,;-3.72,-3.16,;-2.2,-2.92,;-1.5,-4.29,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)|
Show InChI InChI=1S/C32H26N6O/c1-19-8-3-4-14-26(19)38-28(35-25-13-5-9-20(2)29(25)32(38)39)18-37-27-15-7-11-23(33)30(27)31(36-37)22-10-6-12-24-21(22)16-17-34-24/h3-17,34H,18,33H2,1-2H3
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.


Chem Biol 17: 123-34 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.010
BindingDB Entry DOI: 10.7270/Q2CR5RVT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM81372
PNG
(SW19)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cccc4[nH]ccc34)c3c(N)cccc23)nc2cccc(C)c2c1=O |(2.8,1.32,;2.8,2.86,;4.14,3.63,;4.14,5.17,;2.8,5.94,;1.47,5.17,;1.47,3.63,;.14,2.86,;.14,1.32,;1.47,.55,;1.47,-.99,;.27,-1.96,;.83,-3.4,;-.01,-4.69,;.39,-6.18,;-.7,-7.26,;-2.19,-6.87,;-2.59,-5.38,;-3.96,-4.68,;-3.72,-3.16,;-2.2,-2.92,;-1.5,-4.29,;2.36,-3.32,;3.45,-4.41,;3.05,-5.89,;4.94,-4.01,;5.34,-2.52,;4.25,-1.43,;2.76,-1.83,;-1.2,.55,;-2.53,1.32,;-3.86,.55,;-5.2,1.32,;-5.2,2.86,;-3.86,3.63,;-3.86,5.17,;-2.53,2.86,;-1.2,3.63,;-1.2,5.17,)|
Show InChI InChI=1S/C32H26N6O/c1-19-8-3-4-14-26(19)38-28(35-25-13-5-9-20(2)29(25)32(38)39)18-37-27-15-7-11-23(33)30(27)31(36-37)22-10-6-12-24-21(22)16-17-34-24/h3-17,34H,18,33H2,1-2H3
PDB
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NCI pathway
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Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



University of California, San Francisco



Assay Description
Biochemical assay using PI3Ks and diversification of tolyl quinazolinone series.


Chem Biol 17: 123-34 (2010)


Article DOI: 10.1016/j.chembiol.2010.01.010
BindingDB Entry DOI: 10.7270/Q2CR5RVT
More data for this
Ligand-Target Pair