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BDBM291366 3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3′,2′:4,5]furo[3,2-d]pyrimidin-8-ylmethyl]-piperazin-1-yl}-propionitrile::US9580442, Example R::US9938290, R

SMILES: N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1

InChI Key: InChIKey=RKURGBLIJFFUCK-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 = 291366   
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))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2
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n/an/a 597n/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))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2
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n/an/a 131n/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))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2
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n/an/a 22n/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))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2
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n/an/a 2.54E+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))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2
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n/an/a 597n/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))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2
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n/an/a 131n/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))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2
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n/an/a 22n/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))
BDBM291366
PNG
(3-{4-[2-(1H-Indol-4-yl)-4-morpholin-4-yl-pyrido[3&...)
Show SMILES N#CCCN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C29H30N8O2/c30-6-2-8-35-9-11-36(12-10-35)19-20-17-23-25-26(39-29(23)32-18-20)28(37-13-15-38-16-14-37)34-27(33-25)22-3-1-4-24-21(22)5-7-31-24/h1,3-5,7,17-18,31H,2,8-16,19H2
PDB
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UniChem
US Patent
n/an/a 2.54E+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