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BDBM291362 2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-pyrido[3′,2′:4,5]furo[3,2-d]pyrimidine::US9580442, Example J::US9938290, J

SMILES: CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1

InChI Key: InChIKey=YWHHLIIWAUAVFS-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 = 291362   
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))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3
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n/an/a 680n/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))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3
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n/an/a 277n/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))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3
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n/an/a 26n/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))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3
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n/an/a 1.04E+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))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3
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n/an/a 680n/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))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3
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n/an/a 277n/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))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3
PDB
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n/an/a 26n/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))
BDBM291362
PNG
(2-(1H-Indol-4-yl)-8-(4-methyl-piperazin-1-ylmethyl...)
Show SMILES CN1CCN(Cc2cnc3oc4c(nc(nc4c3c2)-c2cccc3[nH]ccc23)N2CCOCC2)CC1
Show InChI InChI=1S/C27H29N7O2/c1-32-7-9-33(10-8-32)17-18-15-21-23-24(36-27(21)29-16-18)26(34-11-13-35-14-12-34)31-25(30-23)20-3-2-4-22-19(20)5-6-28-22/h2-6,15-16,28H,7-14,17H2,1H3
PDB
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UniChem
US Patent
n/an/a 1.04E+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