Found 14 hits for monomerid = 342496 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM342496
(US10329299, Compound 62 | US10675286, Compound 62 ...)Show SMILES C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#CC3(O)CN4CCC3CC4)c2c(=O)n1-c1ccccc1 |r,wD:1.0,$;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$,THB:25:24:28.29:32.31,(3.41,-1.35,;2.07,-2.12,;2.07,-3.66,;3.41,-4.43,;4.74,-3.66,;3.41,-5.97,;4.65,-6.87,;5.99,-6.1,;4.18,-8.34,;2.64,-8.34,;1.61,-9.48,;.1,-9.16,;-.38,-7.7,;.65,-6.55,;2.16,-6.87,;.74,-1.35,;-.59,-2.12,;-1.93,-1.35,;-3.26,-2.12,;-4.6,-1.35,;-4.6,.19,;-3.26,.96,;-3.26,2.5,;-3.26,4.04,;-3.26,5.58,;-1.72,5.58,;-4.19,6.73,;-4.36,8.51,;-5.99,9.05,;-5.17,7.87,;-3.27,7.23,;-2.28,8.31,;-3.28,9.48,;-1.93,.19,;-.59,.96,;-.59,2.5,;.74,.19,;2.07,.96,;3.41,.19,;4.74,.96,;4.74,2.5,;3.41,3.27,;2.07,2.5,)| Show InChI InChI=1S/C33H29N7O3/c1-21(36-31(41)28-29(34)37-39-16-6-15-35-30(28)39)26-19-23-8-5-7-22(11-14-33(43)20-38-17-12-24(33)13-18-38)27(23)32(42)40(26)25-9-3-2-4-10-25/h2-10,15-16,19,21,24,43H,12-13,17-18,20H2,1H3,(H,36,41)/t21-,33?/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| US Patent
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |