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BDBM50192886 CHEMBL3946030::US9775844, Compound 70

SMILES: C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=ZXUNWLPETOFNAZ-IDGYWSHPNA-N

Data: 6 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 6 hits for monomerid = 50192886   
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 gamma isoform


(Homo sapiens (Human))
BDBM50192886
PNG
(CHEMBL3946030 | US9775844, Compound 70)
Show SMILES C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1/C27H24N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h3-17H,1-2H3,(H2,28,31)(H,30,34)/b9-3+/t17-/s2
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PC sid
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n/an/a 330n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expressed in Sf9 insect cells using diC8PIP2 as substrate incubated for 1...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta


(Homo sapiens (Human))
BDBM50192886
PNG
(CHEMBL3946030 | US9775844, Compound 70)
Show SMILES C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1/C27H24N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h3-17H,1-2H3,(H2,28,31)(H,30,34)/b9-3+/t17-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant full length N-terminal GST-tagged PI3K p110delta/p85alpha coexpressed in baculovirus infected Sf9 insect cells using ...


ACS Med Chem Lett 7: 862-7 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00238
BindingDB Entry DOI: 10.7270/Q2N018HX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50192886
PNG
(CHEMBL3946030 | US9775844, Compound 70)
Show SMILES C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1/C27H24N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h3-17H,1-2H3,(H2,28,31)(H,30,34)/b9-3+/t17-/s2
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US Patent
n/an/a 3.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent




US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50192886
PNG
(CHEMBL3946030 | US9775844, Compound 70)
Show SMILES C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1/C27H24N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h3-17H,1-2H3,(H2,28,31)(H,30,34)/b9-3+/t17-/s2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent




US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50192886
PNG
(CHEMBL3946030 | US9775844, Compound 70)
Show SMILES C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1/C27H24N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h3-17H,1-2H3,(H2,28,31)(H,30,34)/b9-3+/t17-/s2
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n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent




US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50192886
PNG
(CHEMBL3946030 | US9775844, Compound 70)
Show SMILES C\C=C\c1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r|
Show InChI InChI=1/C27H24N6O2/c1-3-9-18-10-7-11-19-16-21(33(27(35)22(18)19)20-12-5-4-6-13-20)17(2)30-26(34)23-24(28)31-32-15-8-14-29-25(23)32/h3-17H,1-2H3,(H2,28,31)(H,30,34)/b9-3+/t17-/s2
PDB
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UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 2.00E+3n/an/an/an/an/an/a



Infinity Pharmaceuticals, Inc.

US Patent




US Patent US9775844 (2017)


BindingDB Entry DOI: 10.7270/Q2GQ70WH
More data for this
Ligand-Target Pair