lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): FC(F)(F)c1ccc([C@H](Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)C2CC2)cn1
InChIKey: CMEYRTUYGFNHBD-HXUWFJFHSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 3555 nM (pChEMBL 5.449999809265137)
Descriptors: MW 460.89, ALogP 5.06, HBA 6, HBD 1, PSA 66.83, QED 0.57
Compound (SMILES): FC(F)(F)c1ccc([C@@H](Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)C2CC2)cn1
InChIKey: CMEYRTUYGFNHBD-FQEVSTJZSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 460.89, ALogP 5.06, HBA 6, HBD 1, PSA 66.83, QED 0.57
Compound (SMILES): Cc1ccc(N2CCc3ncnc(N[C@H](CO)c4ccc(C(F)(F)F)cc4)c3C2)nc1
InChIKey: XTUGYSDHPHABIN-LJQANCHMSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 158 nM (pChEMBL 6.800000190734863)
Descriptors: MW 429.45, ALogP 3.91, HBA 6, HBD 2, PSA 74.17, QED 0.64
Compound (SMILES): Cc1ccc(N2CCc3ncnc(NC(CCO)c4ccc(C(F)(F)F)nc4)c3C2)nc1
InChIKey: JYXGOVPRQNIYKV-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 444.46, ALogP 3.69, HBA 7, HBD 2, PSA 87.06, QED 0.6
Compound (SMILES): COc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1
InChIKey: SGUGDZUWFAUPNY-QGZVFWFLSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 103 nM (pChEMBL 6.989999771118164)
Descriptors: MW 426.91, ALogP 3.03, HBA 8, HBD 2, PSA 96.29, QED 0.59
Compound (SMILES): COc1ccc([C@@H](CCO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1
InChIKey: PUIPLPMBTAVSBG-GOSISDBHSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 406.49, ALogP 2.68, HBA 8, HBD 2, PSA 96.29, QED 0.62
Compound (SMILES): COc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(Cl)cn2)CC3)cn1
InChIKey: WPBBTBJCOJRQNE-QGZVFWFLSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 90 nM (pChEMBL 7.050000190734863)
Descriptors: MW 412.88, ALogP 2.64, HBA 8, HBD 2, PSA 96.29, QED 0.64
Compound (SMILES): COc1ccc([C@@H](CO)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cn1
InChIKey: COHPLRFPNJNJIX-GOSISDBHSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 392.46, ALogP 2.29, HBA 8, HBD 2, PSA 96.29, QED 0.66
Compound (SMILES): Cc1ccc(N2CCc3ncnc(N[C@H](CCO)c4ccc(C)nc4)c3C2)nc1
InChIKey: SSNDZSZPTDFBHC-LJQANCHMSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 390.49, ALogP 2.98, HBA 7, HBD 2, PSA 87.06, QED 0.67
Compound (SMILES): Cc1ccc(N2CCc3ncnc(NC(CO)c4cccnc4)c3C2)nc1
InChIKey: DTQUOODAYMQTHN-UHFFFAOYSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 272 nM (pChEMBL 6.570000171661377)
Descriptors: MW 362.44, ALogP 2.28, HBA 7, HBD 2, PSA 87.06, QED 0.72
Compound (SMILES): Cc1ccc(N2CCc3ncnc(N[C@H](CCO)c4ccc(C(F)(F)F)nc4)c3C2)nc1
InChIKey: JYXGOVPRQNIYKV-QGZVFWFLSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 444.46, ALogP 3.69, HBA 7, HBD 2, PSA 87.06, QED 0.6
Compound (SMILES): Cc1ccc(N2CCc3ncnc(N[C@H](C)c4cnc(C)nc4)c3C2)nc1
InChIKey: XNAFMMCWOUXFDU-CQSZACIVSA-N
Target: P2X purinoceptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56373
Assay: Binding Assay: The purinergic receptors P2X2 and P2X3 are expressed in a variety of tissues including various sensory and sympathetic ganglia, such as the dorsal root (DRG), nodose (ND), trigeminal (TG), and superior cervical ganglia (SCG) and also in smooth muscle cells (Burnstock, Trends Pharmacol. Sci. 27:166-76, 2006). In several regions, P2X2 and P2X3 receptors are coexpressed and functional studies have demonstrated the presence of heteromeric P2X2/3 receptors whose properties differ from those of either homomeric receptor. In addition, chimeric P2X2/3 receptors, containing the N-terminal cytoplasmic domain of P2X2 fused to the first transmembrane domain of P2X3 have been described; these chimeric channels retain the pharmacological profile of homomeric P2X3 receptors.
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 361.45, ALogP 3.01, HBA 7, HBD 1, PSA 79.72, QED 0.76
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 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 = 15 nM (pChEMBL 7.820000171661377)
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 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 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 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 = 15 nM (pChEMBL 7.820000171661377)
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 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 = 1764 nM (pChEMBL 5.75)
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 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 = 20 nM (pChEMBL 7.699999809265137)
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 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 = 44 nM (pChEMBL 7.360000133514404)
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 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 = 1973 nM (pChEMBL 5.710000038146973)
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 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 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 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 = 2906 nM (pChEMBL 5.539999961853027)
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 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 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 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 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 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 = 952 nM (pChEMBL 6.019999980926514)
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 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 = 1802 nM (pChEMBL 5.739999771118164)
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 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 = 1832 nM (pChEMBL 5.739999771118164)
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 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 = 1631 nM (pChEMBL 5.789999961853027)
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 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 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 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 = 17 nM (pChEMBL 7.769999980926514)
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 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 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 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 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 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 = 48 nM (pChEMBL 7.320000171661377)
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 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 = 8 nM (pChEMBL 8.100000381469727)
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 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 = 8 nM (pChEMBL 8.100000381469727)
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 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 = 129 nM (pChEMBL 6.889999866485596)
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 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 = 374 nM (pChEMBL 6.429999828338623)
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 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 = 26 nM (pChEMBL 7.579999923706055)
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 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 = 368 nM (pChEMBL 6.429999828338623)
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 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 = 3410 nM (pChEMBL 5.46999979019165)
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 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 = 1214 nM (pChEMBL 5.920000076293945)
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 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 = 2585 nM (pChEMBL 5.590000152587891)
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 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 = 2831 nM (pChEMBL 5.550000190734863)
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 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 = 3024 nM (pChEMBL 5.519999980926514)
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 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 = 2036 nM (pChEMBL 5.690000057220459)
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 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 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 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 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 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 = 4232 nM (pChEMBL 5.369999885559082)
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 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 = 4103 nM (pChEMBL 5.389999866485596)
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 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 = 31 nM (pChEMBL 7.510000228881836)
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 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 = 3306 nM (pChEMBL 5.480000019073486)
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 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 = 434 nM (pChEMBL 6.360000133514404)
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 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 = 6 nM (pChEMBL 8.220000267028809)
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 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 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 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 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 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 = 728 nM (pChEMBL 6.139999866485596)
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 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 = 1189 nM (pChEMBL 5.920000076293945)
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 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 = 860 nM (pChEMBL 6.070000171661377)
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 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 = 803 nM (pChEMBL 6.090000152587891)
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 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 500.48, ALogP 3.15, HBA 8, HBD 0, PSA 93.57, QED 0.53