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BDBM291357 2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3′,2′:4,5]furo[3,2-d]pyrimidine::US9580442, Example E::US9938290, E

SMILES: C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12

InChI Key: InChIKey=GQKBNRLKAFHREP-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 291357   
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))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2
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n/an/a 88n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent


Assay Description
PI3K Isoform using biochemical assay.


US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2
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n/an/a 69n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent


Assay Description
PI3K Isoform using biochemical assay.


US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2
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n/an/a 7n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent


Assay Description
PI3K Isoform using biochemical assay.


US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2
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n/an/a 627n/an/an/an/an/an/a



Lek Pharmaceuticals d.d.



Assay Description
Please see article


J Med Chem 51: 7486-94 (2008)


BindingDB Entry DOI: 10.7270/Q21V5H9P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2
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n/an/a 88n/an/an/an/an/an/a



Lek Pharmaceuticals d.d.



Assay Description
Please see article


J Med Chem 51: 7486-94 (2008)


BindingDB Entry DOI: 10.7270/Q21V5H9P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2
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n/an/a 69n/an/an/an/an/an/a



Lek Pharmaceuticals d.d.



Assay Description
Please see article


J Med Chem 51: 7486-94 (2008)


BindingDB Entry DOI: 10.7270/Q21V5H9P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2
PDB
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n/an/a 7n/an/an/an/an/an/a



Lek Pharmaceuticals d.d.



Assay Description
Please see article


J Med Chem 51: 7486-94 (2008)


BindingDB Entry DOI: 10.7270/Q21V5H9P
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM291357
PNG
(2,8-Bis-(1H-indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES C1CN(CCO1)c1nc(nc2c3cc(cnc3oc12)-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
Show InChI InChI=1S/C29H22N6O2/c1-3-18(19-7-9-30-23(19)5-1)17-15-22-25-26(37-29(22)32-16-17)28(35-11-13-36-14-12-35)34-27(33-25)21-4-2-6-24-20(21)8-10-31-24/h1-10,15-16,30-31H,11-14H2
PDB
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PC sid
UniChem
US Patent
n/an/a 627n/an/an/an/an/an/a



Karus Therapeutics Limited

US Patent


Assay Description
PI3K Isoform using biochemical assay.


US Patent US9580442 (2017)


BindingDB Entry DOI: 10.7270/Q2J38VM2
More data for this
Ligand-Target Pair