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BDBM291359 (E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′,2′:4,5]furo[3,2-d]pyrimidin-8-yl]-N,N-dimethylacrylamide::US9580442, Example G::US9938290, G

SMILES: CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1

InChI Key: InChIKey=MMCLGQOGMBMOJC-VOTSOKGWSA-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 = 291359   
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))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+
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n/an/a 223n/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))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+
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n/an/a 83n/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))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+
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n/an/a 5n/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))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+
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n/an/a 1.66E+3n/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))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+
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n/an/a 223n/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))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+
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n/an/a 83n/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))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+
PDB
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n/an/a 5n/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))
BDBM291359
PNG
((E)-3-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3...)
Show SMILES CN(C)C(=O)\C=C\c1cnc2oc3c(nc(nc3c2c1)-c1cccc2[nH]ccc12)N1CCOCC1
Show InChI InChI=1S/C26H24N6O3/c1-31(2)21(33)7-6-16-14-19-22-23(35-26(19)28-15-16)25(32-10-12-34-13-11-32)30-24(29-22)18-4-3-5-20-17(18)8-9-27-20/h3-9,14-15,27H,10-13H2,1-2H3/b7-6+
PDB
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UniChem
US Patent
n/an/a 1.66E+3n/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