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BDBM50312613 2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol::CHEMBL1084926

SMILES: CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1

InChI Key: InChIKey=LEXMMFPAPDGYGZ-UHFFFAOYSA-N

Data: 1 KI  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 10 hits for monomerid = 50312613   
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
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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PubMed
30n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR (1360 to 2549 amino acids) assessed as reduction in phosphorylation of (GFP)-4-EBP1 after 30 mins by FRET assay


J Med Chem 55: 8007-20 (2012)


Article DOI: 10.1021/jm300867c
BindingDB Entry DOI: 10.7270/Q2MC9152
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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PubMed
n/an/a 591n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MLK1


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Aurora A kinase


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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n/an/a 16n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kgamma assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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n/an/a 12n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kbeta assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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PubMed
n/an/a 30n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human recombinant mTOR by FRET


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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n/an/a 3.40n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kalpha assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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n/an/a 3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay


J Med Chem 54: 7815-33 (2011)


Article DOI: 10.1021/jm2007084
BindingDB Entry DOI: 10.7270/Q2057GCQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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PubMed
n/an/a 371n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM50312613
PNG
(2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,...)
Show SMILES CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Show InChI InChI=1S/C17H20N6O2S/c1-17(2,24)12-7-11-13(26-12)15(23-3-5-25-6-4-23)22-14(21-11)10-8-19-16(18)20-9-10/h7-9,24H,3-6H2,1-2H3,(H2,18,19,20)
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n/an/a 16n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of recombinant PI3Kdelta assessed as PIP3 product formation by fluorescence polarization assay


J Med Chem 53: 1086-97 (2010)


Article DOI: 10.1021/jm901284w
BindingDB Entry DOI: 10.7270/Q2FJ2GXT
More data for this
Ligand-Target Pair