lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)OC)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: MRUIWDOXCOAESS-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 49.97 nM (pChEMBL 7.300000190734863)
Descriptors: MW 421.89, ALogP 3.37, HBA 6, HBD 1, PSA 94.23, QED 0.51
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: PDASOYUSMAATLD-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 48.19 nM (pChEMBL 7.320000171661377)
Descriptors: MW 510.02, ALogP 3, HBA 7, HBD 1, PSA 119.14, QED 0.54
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: CBMXZSXTNWSDCO-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 39.47 nM (pChEMBL 7.400000095367432)
Descriptors: MW 539.06, ALogP 2.84, HBA 7, HBD 1, PSA 122.38, QED 0.5
Compound (SMILES): CCOC(=O)N1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2Cl)CC1
InChIKey: PPBSOODUJSYORY-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 81.71 nM (pChEMBL 7.090000152587891)
Descriptors: MW 519.01, ALogP 3.65, HBA 7, HBD 1, PSA 114.54, QED 0.52
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: HPPPNFHAYDYKOO-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 465.5 nM (pChEMBL 6.329999923706055)
Descriptors: MW 529.09, ALogP 4.83, HBA 6, HBD 1, PSA 88.24, QED 0.49
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NCCN3CCOCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: UCYYVSPDZXZQCO-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 113.4 nM (pChEMBL 6.949999809265137)
Descriptors: MW 491, ALogP 2.8, HBA 7, HBD 2, PSA 106.26, QED 0.51
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)CCN3CCCC3=O)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: DIYAFMLSWNFEBX-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 56.4 nM (pChEMBL 7.25)
Descriptors: MW 503.01, ALogP 3.43, HBA 6, HBD 1, PSA 105.31, QED 0.52
Compound (SMILES): CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2C)CC1
InChIKey: PNIRYKZKGDZRPO-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 147 nM (pChEMBL 6.829999923706055)
Descriptors: MW 482.63, ALogP 3.95, HBA 6, HBD 1, PSA 88.24, QED 0.54
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: LTMPRYYCLDWGOF-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 78.85 nM (pChEMBL 7.099999904632568)
Descriptors: MW 483.62, ALogP 4.01, HBA 6, HBD 2, PSA 105.23, QED 0.54
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: HZFUJVGFYOVEHB-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 84.39 nM (pChEMBL 7.070000171661377)
Descriptors: MW 510.64, ALogP 3.33, HBA 7, HBD 1, PSA 97.47, QED 0.54
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCN(C)CC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: NECBBSJEIAPKEO-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 307 nM (pChEMBL 6.510000228881836)
Descriptors: MW 523.69, ALogP 3.24, HBA 7, HBD 1, PSA 91.48, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCCC(O)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: WKXLDCTVVNFJRQ-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indicating the activity of the compounds inhibiting PI3 kinase alpha activity Inhibition of PI3 kinase is expected to be indicative of activity in treating conditions of excessive or anomalous cell proliferation, such as cancers. See also J. A. Engelman, Nature Reviews Cancer, 2009, 9, 550-562; A. Carnero, Expert Opin. Investig. Drugs, 2009, 18, 1265-1277 and P. Liu et al., Nature Reviews Drug Discovery, 2009, 8, 627-64.
Measurement: IC50 = 52.47 nM (pChEMBL 7.28000020980835)
Descriptors: MW 441.54, ALogP 2.99, HBA 6, HBD 2, PSA 105.23, QED 0.61
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1C
InChIKey: VHBAXDNZLJTAHW-IBGZPJMESA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 2037.8 nM (pChEMBL 5.690000057220459)
Descriptors: MW 453.54, ALogP 2.16, HBA 8, HBD 0, PSA 89.91, QED 0.68
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)c(OC)n1
InChIKey: KSYMFKDATLWMNZ-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 3391 nM (pChEMBL 5.46999979019165)
Descriptors: MW 470.53, ALogP 1.25, HBA 10, HBD 0, PSA 112.03, QED 0.61
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1C#N
InChIKey: DHKFEFUZEOPUQR-IBGZPJMESA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 2386 nM (pChEMBL 5.619999885559082)
Descriptors: MW 464.53, ALogP 1.72, HBA 9, HBD 0, PSA 113.7, QED 0.65
Compound (SMILES): CCC(=O)N1CC[C@H](Oc2ncnc3c2CN(c2cnc(OC)c(OC)c2)CC3)C1
InChIKey: XNKIKAXCGKGMKG-HNNXBMFYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 413.48, ALogP 1.84, HBA 8, HBD 0, PSA 89.91, QED 0.71
Compound (SMILES): COc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cnc1OC
InChIKey: XRVBDGWSAMQLQD-SFHVURJKSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 749 nM (pChEMBL 6.130000114440918)
Descriptors: MW 469.54, ALogP 1.86, HBA 9, HBD 0, PSA 99.14, QED 0.63
Compound (SMILES): N#Cc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cnc1N
InChIKey: JYWIVPIWFOTKGR-SFHVURJKSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 987 nM (pChEMBL 6.010000228881836)
Descriptors: MW 449.52, ALogP 1.29, HBA 9, HBD 1, PSA 130.49, QED 0.73
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOCC5)C4)c3C2)cc1F
InChIKey: UHQGEZRSIZXYBB-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 457.51, ALogP 1.99, HBA 8, HBD 0, PSA 89.91, QED 0.67
Compound (SMILES): COCC(=O)N1CC[C@H](Oc2ncnc3c2CN(c2cnc(OC)c(C#N)c2)CC3)C1
InChIKey: XMDGRYBKZMSTFZ-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 2494 nM (pChEMBL 5.599999904632568)
Descriptors: MW 424.46, ALogP 0.94, HBA 9, HBD 0, PSA 113.7, QED 0.67
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCCC5)C4)c3C2)cc1C#N
InChIKey: MSQYJWDVYZNHAV-IBGZPJMESA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 448.53, ALogP 2.48, HBA 8, HBD 0, PSA 104.47, QED 0.69
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cc1C
InChIKey: QDKLHASKYBWPPO-SFHVURJKSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 668 nM (pChEMBL 6.170000076293945)
Descriptors: MW 464.53, ALogP 2.65, HBA 9, HBD 0, PSA 106.71, QED 0.56
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccoc5)C4)c3C2)cc1C
InChIKey: HFGTXYOYKNUWPZ-SFHVURJKSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 1199 nM (pChEMBL 5.920000076293945)
Descriptors: MW 435.48, ALogP 2.64, HBA 8, HBD 0, PSA 93.82, QED 0.6
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnco5)C4)c3C2)cc1C
InChIKey: RSJQIHVWJKMRJG-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 436.47, ALogP 2.03, HBA 9, HBD 0, PSA 106.71, QED 0.59
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cncn5C)C4)c3C2)cc1C
InChIKey: BGQDYKLFJLQYFK-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 449.52, ALogP 1.78, HBA 9, HBD 0, PSA 98.5, QED 0.58
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5coc(C)n5)C4)c3C2)cc1C
InChIKey: XLRHPJNXJBPHNF-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 450.5, ALogP 2.34, HBA 9, HBD 0, PSA 106.71, QED 0.58
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CC(OC)C5)C4)c3C2)cc1C
InChIKey: LQYOBARKHFQPSE-AVAKVYKDSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 453.54, ALogP 2.16, HBA 8, HBD 0, PSA 89.91, QED 0.66
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cocn5)C4)c3C2)cc1C
InChIKey: YXJHLYDNHRIVPS-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 1684 nM (pChEMBL 5.769999980926514)
Descriptors: MW 436.47, ALogP 2.03, HBA 9, HBD 0, PSA 106.71, QED 0.59
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCN(C(C)=O)CC5)C4)c3C2)cc1C
InChIKey: CLHAJQFYWMLCCQ-NRFANRHFSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 7678 nM (pChEMBL 5.119999885559082)
Descriptors: MW 494.6, ALogP 1.99, HBA 8, HBD 0, PSA 100.99, QED 0.62
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ocnc5C)C4)c3C2)cc1C
InChIKey: USGVQWRWCKNPRM-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 871 nM (pChEMBL 6.059999942779541)
Descriptors: MW 450.5, ALogP 2.34, HBA 9, HBD 0, PSA 106.71, QED 0.58
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccc(=O)[nH]c5)C4)c3C2)cc1C
InChIKey: IIXMGPWDJGBHBM-SFHVURJKSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 3056 nM (pChEMBL 5.510000228881836)
Descriptors: MW 462.51, ALogP 1.73, HBA 8, HBD 1, PSA 113.54, QED 0.61
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cn(C)cn5)C4)c3C2)cc1C
InChIKey: BQKJEPOUMVWEIU-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 1839 nM (pChEMBL 5.739999771118164)
Descriptors: MW 449.52, ALogP 1.78, HBA 9, HBD 0, PSA 98.5, QED 0.58
Compound (SMILES): COc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cocn5)C4)c3C2)cnc1OC
InChIKey: BOYBXWQYPHGAKZ-HNNXBMFYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 452.47, ALogP 1.73, HBA 10, HBD 0, PSA 115.94, QED 0.55
Compound (SMILES): COc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnco5)C4)c3C2)cnc1OC
InChIKey: MJSCYBYBIYXSIR-HNNXBMFYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 580 nM (pChEMBL 6.239999771118164)
Descriptors: MW 452.47, ALogP 1.73, HBA 10, HBD 0, PSA 115.94, QED 0.55
Compound (SMILES): COc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5coc(C)n5)C4)c3C2)cnc1OC
InChIKey: YZXRKZKJRBTCQY-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 466.5, ALogP 2.04, HBA 10, HBD 0, PSA 115.94, QED 0.53
Compound (SMILES): COc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOC(C)(C)C5)C4)c3C2)cnc1OC
InChIKey: CODVXHVFSADFRF-NNBQYGFHSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 497.6, ALogP 2.64, HBA 9, HBD 0, PSA 99.14, QED 0.6
Compound (SMILES): COc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cnc1OC
InChIKey: YRMGXDXTDPYUJB-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 820 nM (pChEMBL 6.090000152587891)
Descriptors: MW 480.53, ALogP 2.35, HBA 10, HBD 0, PSA 115.94, QED 0.52
Compound (SMILES): COc1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCC(F)(F)CC5)C4)c3C2)cnc1OC
InChIKey: VTUQYOAQSQCGPE-SFHVURJKSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 503.55, ALogP 3.26, HBA 8, HBD 0, PSA 89.91, QED 0.59
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)CC5CCOCC5)C4)c3C2)cc1C#N
InChIKey: GPLHVQYUIOXZET-FQEVSTJZSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 478.55, ALogP 2.11, HBA 9, HBD 0, PSA 113.7, QED 0.62
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cc1C#N
InChIKey: BKDNHUIUBQBYEI-SFHVURJKSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 475.51, ALogP 2.21, HBA 10, HBD 0, PSA 130.5, QED 0.54
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOC(C)(C)C5)C4)c3C2)cc1C#N
InChIKey: AHWQQFDZXJOJLB-OZBJMMHXSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 492.58, ALogP 2.5, HBA 9, HBD 0, PSA 113.7, QED 0.62
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ncoc5C)C4)c3C2)cc1C
InChIKey: NFZDMFMOFAKEJO-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 450.5, ALogP 2.34, HBA 9, HBD 0, PSA 106.71, QED 0.58
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnoc5C)C4)c3C2)cc1C
InChIKey: SXDJYJQQZZLSGT-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 450.5, ALogP 2.34, HBA 9, HBD 0, PSA 106.71, QED 0.58
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5conc5C)C4)c3C2)cc1C
InChIKey: FMQAZLYFCGLILQ-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 450.5, ALogP 2.34, HBA 9, HBD 0, PSA 106.71, QED 0.58
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccon5)C4)c3C2)cc1C
InChIKey: NJHBDBMNPRTKHC-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 1967 nM (pChEMBL 5.710000038146973)
Descriptors: MW 436.47, ALogP 2.03, HBA 9, HBD 0, PSA 106.71, QED 0.59
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccno5)C4)c3C2)cc1C
InChIKey: DKZCDPMVVIEZFX-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 1648 nM (pChEMBL 5.78000020980835)
Descriptors: MW 436.47, ALogP 2.03, HBA 9, HBD 0, PSA 106.71, QED 0.59
Compound (SMILES): [C-]#[N+]c1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cscn5)C4)c3C2)cnc1OC
InChIKey: BHMRGXYZQAVGOI-HNNXBMFYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 49 nM (pChEMBL 7.309999942779541)
Descriptors: MW 463.52, ALogP 2.74, HBA 9, HBD 0, PSA 97.93, QED 0.53
Compound (SMILES): [C-]#[N+]c1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnn(C)c5)C4)c3C2)cnc1OC
InChIKey: AVWBUURXGFPPJY-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 460.5, ALogP 2.02, HBA 9, HBD 0, PSA 102.86, QED 0.53
Compound (SMILES): [C-]#[N+]c1cc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccn(C)n5)C4)c3C2)cnc1OC
InChIKey: FFMMHPONIMVNOA-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 7021 nM (pChEMBL 5.150000095367432)
Descriptors: MW 460.5, ALogP 2.02, HBA 9, HBD 0, PSA 102.86, QED 0.53
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCOC(C)(C)C5)C4)c3C2)cc1C
InChIKey: BDDRMUBZULZMBJ-IJHRGXPZSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 481.6, ALogP 2.94, HBA 8, HBD 0, PSA 89.91, QED 0.64
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCS(=O)(=O)CC5)C4)c3C2)cc1C(F)(F)F
InChIKey: HLUDFEHQFBEURX-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 555.58, ALogP 2.27, HBA 9, HBD 0, PSA 114.82, QED 0.55
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5oc(C)nc5C)C4)c3C2)cc1C(F)(F)F
InChIKey: XKOFIKJLGPOHJX-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 518.5, ALogP 3.36, HBA 9, HBD 0, PSA 106.71, QED 0.5
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cncs5)C4)c3C2)cc1C(F)(F)F
InChIKey: OJJIKTMAUWDXMA-AWEZNQCLSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 515 nM (pChEMBL 6.289999961853027)
Descriptors: MW 506.51, ALogP 3.21, HBA 9, HBD 0, PSA 93.57, QED 0.52
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccnn5C)C4)c3C2)cc1C(F)(F)F
InChIKey: NUDZNSYHOZIFNQ-HNNXBMFYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 863 nM (pChEMBL 6.059999942779541)
Descriptors: MW 503.49, ALogP 2.49, HBA 9, HBD 0, PSA 98.5, QED 0.52
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CNC(=O)C5)C4)c3C2)cc1C(F)(F)F
InChIKey: WMDPWXIJFKKKDM-WUJWULDRSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 506.49, ALogP 1.58, HBA 8, HBD 1, PSA 109.78, QED 0.65
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cccnc5)C4)c3C2)cc1C(F)(F)F
InChIKey: PCLXGWONUIYABO-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 500.48, ALogP 3.15, HBA 8, HBD 0, PSA 93.57, QED 0.53
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnc[nH]5)C4)c3C2)cc1C(F)(F)F
InChIKey: SMXQGKQTLCJHIN-AWEZNQCLSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 489.46, ALogP 2.48, HBA 8, HBD 1, PSA 109.36, QED 0.58
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CCC(=O)N5)C4)c3C2)cc1C(F)(F)F
InChIKey: SVWYJBFOACEUAP-PIVQAISJSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 506.49, ALogP 1.72, HBA 8, HBD 1, PSA 109.78, QED 0.65
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccncc5)C4)c3C2)cc1C(F)(F)F
InChIKey: TVMZFAAGACTFJJ-KRWDZBQOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 656 nM (pChEMBL 6.179999828338623)
Descriptors: MW 500.48, ALogP 3.15, HBA 8, HBD 0, PSA 93.57, QED 0.53
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cn(C)nc5C)C4)c3C2)cc1C(F)(F)F
InChIKey: VYWKJJXHISTGIE-INIZCTEOSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 518 nM (pChEMBL 6.289999961853027)
Descriptors: MW 517.51, ALogP 2.8, HBA 9, HBD 0, PSA 98.5, QED 0.51
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cn[nH]c5)C4)c3C2)cc1C(F)(F)F
InChIKey: LQELUFLVTUUYLG-HNNXBMFYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: O00329
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 489.46, ALogP 2.48, HBA 8, HBD 1, PSA 109.36, QED 0.58
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5nnc(C)o5)C4)c3C2)cc1C(F)(F)F
InChIKey: IPSNNDPZVRHORI-AWEZNQCLSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 912 nM (pChEMBL 6.039999961853027)
Descriptors: MW 505.46, ALogP 2.45, HBA 10, HBD 0, PSA 119.6, QED 0.51
Compound (SMILES): COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnccn5)C4)c3C2)cc1C(F)(F)F
InChIKey: NRKXAOQXZJYBSM-HNNXBMFYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42336
Assay: Enzyme Assay: Test of Lipid Kinase Activity: The kinase reaction is performed in a final volume of 50 μl per well of a half area COSTAR, 96 well plate. The final concentrations of ATP and phosphatidyl inositol in the assay are 5 μM and 6 μg/mL, respectively. The reaction is started by the addition of PI3 kinase, e.g. PI3 kinase δ. Refer to the patent for more info.
Measurement: IC50 = 1024 nM (pChEMBL 5.989999771118164)
Descriptors: MW 501.47, ALogP 2.55, HBA 9, HBD 0, PSA 106.46, QED 0.52