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BDBM340014 US10329299, Compound 6::US10675286, Compound 6::US9775844, Compound 6

SMILES: COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12

InChI Key: InChIKey=MUFHZWPIKFIHDE-FQEVSTJZSA-N

Data: 14 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 14 hits for monomerid = 340014   
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))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


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))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


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))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


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 delta isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
Class I PI3-Ks can be either purchased (p110α/p85α, p110β/p85α, p110δ/p85α from Upstate, and p110γ from Sigma) or ...


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))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Ono Pharmaceutical Co., Ltd



Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


Bioorg Med Chem 17: 6567-82 (2009)


BindingDB Entry DOI: 10.7270/Q2KK9F5S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Ono Pharmaceutical Co., Ltd



Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


Bioorg Med Chem 17: 6567-82 (2009)


BindingDB Entry DOI: 10.7270/Q2KK9F5S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
A compound's ability in selectively inhibiting PI3K-γ can be assessed using RAW264.7 macrophages. Briefly, serum-starved RAW264.7 cells are ...


US Patent US10675286 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Ono Pharmaceutical Co., Ltd



Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


Bioorg Med Chem 17: 6567-82 (2009)


BindingDB Entry DOI: 10.7270/Q2KK9F5S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


US Patent US10675286 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


US Patent US10675286 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


US Patent US10675286 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


US Patent US10675286 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Infinity Pharmaceuticals, Inc.

US Patent


Assay Description
A compound's ability in selectively inhibiting PI3K-δ can be assessed using RAJI cells, i.e., B lymphocyte cells derived from lymphoma patie...


US Patent US10675286 (2020)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM340014
PNG
(US10329299, Compound 6 | US10675286, Compound 6 | ...)
Show SMILES COc1ccc(cn1)C#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12 |r,$;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;;;;;;;;;$|
Show InChI InChI=1S/C32H23N7O3/c1-20(36-31(40)28-29(33)37-38-17-7-16-34-30(28)38)25-18-23-9-6-8-22(14-12-21-13-15-26(42-2)35-19-21)27(23)32(41)39(25)24-10-4-3-5-11-24/h3-11,13,15-20H,1-2H3,(H,36,40)/t20-/m0/s1
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Ono Pharmaceutical Co., Ltd



Assay Description
A PI3-Kinase HTRF® assay kit (cat No. 33-016) purchased from Millipore Corporation was used to screen compounds provided herein. This assay used spec...


Bioorg Med Chem 17: 6567-82 (2009)


BindingDB Entry DOI: 10.7270/Q2KK9F5S
More data for this
Ligand-Target Pair