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SMILES: CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C

InChI Key: InChIKey=AYZRGQPKPDHNAX-UHFFFAOYSA-N

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 = 172635   
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 delta isoform


(Homo sapiens (Human))
BDBM172635
PNG
(US9090628, 295 | US9090628, 302 | US9090628, 312 |...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
Show InChI InChI=1S/C28H36N8O2/c1-17(2)36-28(30-18(3)32-36)23-16-35-10-12-38-24-13-19(7-8-21(24)27(35)31-23)22-15-29-34(6)26(22)25-14-20(33(4)5)9-11-37-25/h7-8,13,15-17,20,25H,9-12,14H2,1-6H3
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US Patent
n/an/a 0.721n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM172635
PNG
(US9090628, 295 | US9090628, 302 | US9090628, 312 |...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
Show InChI InChI=1S/C28H36N8O2/c1-17(2)36-28(30-18(3)32-36)23-16-35-10-12-38-24-13-19(7-8-21(24)27(35)31-23)22-15-29-34(6)26(22)25-14-20(33(4)5)9-11-37-25/h7-8,13,15-17,20,25H,9-12,14H2,1-6H3
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US Patent
n/an/a 1.65n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM172635
PNG
(US9090628, 295 | US9090628, 302 | US9090628, 312 |...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
Show InChI InChI=1S/C28H36N8O2/c1-17(2)36-28(30-18(3)32-36)23-16-35-10-12-38-24-13-19(7-8-21(24)27(35)31-23)22-15-29-34(6)26(22)25-14-20(33(4)5)9-11-37-25/h7-8,13,15-17,20,25H,9-12,14H2,1-6H3
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US Patent
n/an/a 0.735n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM172635
PNG
(US9090628, 295 | US9090628, 302 | US9090628, 312 |...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
Show InChI InChI=1S/C28H36N8O2/c1-17(2)36-28(30-18(3)32-36)23-16-35-10-12-38-24-13-19(7-8-21(24)27(35)31-23)22-15-29-34(6)26(22)25-14-20(33(4)5)9-11-37-25/h7-8,13,15-17,20,25H,9-12,14H2,1-6H3
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US Patent
n/an/a 1.20n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM172635
PNG
(US9090628, 295 | US9090628, 302 | US9090628, 312 |...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
Show InChI InChI=1S/C28H36N8O2/c1-17(2)36-28(30-18(3)32-36)23-16-35-10-12-38-24-13-19(7-8-21(24)27(35)31-23)22-15-29-34(6)26(22)25-14-20(33(4)5)9-11-37-25/h7-8,13,15-17,20,25H,9-12,14H2,1-6H3
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US Patent
n/an/a 0.864n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM172635
PNG
(US9090628, 295 | US9090628, 302 | US9090628, 312 |...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
Show InChI InChI=1S/C28H36N8O2/c1-17(2)36-28(30-18(3)32-36)23-16-35-10-12-38-24-13-19(7-8-21(24)27(35)31-23)22-15-29-34(6)26(22)25-14-20(33(4)5)9-11-37-25/h7-8,13,15-17,20,25H,9-12,14H2,1-6H3
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US Patent
n/an/a 0.630n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM172635
PNG
(US9090628, 295 | US9090628, 302 | US9090628, 312 |...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
Show InChI InChI=1S/C28H36N8O2/c1-17(2)36-28(30-18(3)32-36)23-16-35-10-12-38-24-13-19(7-8-21(24)27(35)31-23)22-15-29-34(6)26(22)25-14-20(33(4)5)9-11-37-25/h7-8,13,15-17,20,25H,9-12,14H2,1-6H3
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US Patent
n/an/a 1.08n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM172635
PNG
(US9090628, 295 | US9090628, 302 | US9090628, 312 |...)
Show SMILES CC(C)n1nc(C)nc1-c1cn2CCOc3cc(ccc3-c2n1)-c1cnn(C)c1C1CC(CCO1)N(C)C
Show InChI InChI=1S/C28H36N8O2/c1-17(2)36-28(30-18(3)32-36)23-16-35-10-12-38-24-13-19(7-8-21(24)27(35)31-23)22-15-29-34(6)26(22)25-14-20(33(4)5)9-11-37-25/h7-8,13,15-17,20,25H,9-12,14H2,1-6H3
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UniChem

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US Patent
n/an/a 0.951n/an/an/an/a7.5n/a



GENENTECH, INC.

US Patent


Assay Description
PI3K enzymatic activity was assayed by measuring the amount of product phosphatidylinositol 3,4,5-phosphate (PIP3) formed from substrate 4,5 phosphat...


US Patent US9090628 (2015)


BindingDB Entry DOI: 10.7270/Q26Q1W0V
More data for this
Ligand-Target Pair