lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc3occc3c1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: NSGBTQBHUVVQQK-ORPWQXENSA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 847.09, ALogP 4.96, HBA 8, HBD 4, PSA 187.23, QED 0.22
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](OC)c1ccccc1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: UOZVLIAVHBKHOK-LDFRYFKTSA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 851.12, ALogP 4.29, HBA 8, HBD 4, PSA 183.32, QED 0.2
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1CCN(C(C)=O)CC1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: XPKDLKMXYDYWGP-KDPHQDROSA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 856.14, ALogP 3.16, HBA 8, HBD 4, PSA 194.4, QED 0.22
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1nccc3ccccc13)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: DMXZRMUVJBHDST-BDXRLAHYSA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 75 nM (pChEMBL 7.119999885559082)
Descriptors: MW 858.12, ALogP 4.76, HBA 8, HBD 4, PSA 186.98, QED 0.22
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnc3ccccc3c1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: QUTJDLPIJGFVTJ-GPINVMFISA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 858.12, ALogP 4.76, HBA 8, HBD 4, PSA 186.98, QED 0.22
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccnc3ccccc13)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: LUULFVMVNHPTMD-MSFLSMBSSA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 858.12, ALogP 4.76, HBA 8, HBD 4, PSA 186.98, QED 0.22
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc3c(ccn3C)c1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: SVIJSFDDCORCGI-GPINVMFISA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 860.13, ALogP 4.7, HBA 8, HBD 4, PSA 179.02, QED 0.22
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnc(C)cn1)C(C)CCC)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: IRJPOPFHQWLPAK-YLVFOWHESA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 811.06, ALogP 3.17, HBA 9, HBD 4, PSA 199.87, QED 0.2
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: VWXNOLOTOLRZRB-REXLIHELSA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 788.07, ALogP 2.46, HBA 8, HBD 4, PSA 177.33, QED 0.21
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnon1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: QLSVUCOWXZXLOJ-MHUHKFKFSA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 799.01, ALogP 2.59, HBA 10, HBD 4, PSA 213.01, QED 0.23
Compound (SMILES): C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN1CCN(C)CC1)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1
InChIKey: JRBOXXSEYWPYMG-RDUACGHOSA-N
Target: Hepatitis C virus serine protease, NS3/NS4A (PROTEIN COMPLEX), Hepatitis C virus
UniProt: D2K2A8
Assay: Inhibition Assay: The inhibitory activity of certain compounds against HCV NS3-4A serine protease is determined in a homogenous assay using the full-length NS3-4A protein (genotype 1a, strain HCV-1) and a commercially available internally-quenched fluorogenic peptide substrate as described by Taliani, M., et al. 1996 Anal. Biochem. 240:60-67, which is incorporated by reference in its entirety.
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 843.15, ALogP 2.14, HBA 9, HBD 4, PSA 180.57, QED 0.2
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: XUWBZTNMKJYVRD-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 3.43 nM (pChEMBL 8.460000038146973)
Descriptors: MW 510.64, ALogP 3.33, HBA 7, HBD 1, PSA 97.47, QED 0.54
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: NOGJILRZOMPIPI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 2.79 nM (pChEMBL 8.550000190734863)
Descriptors: MW 427.51, ALogP 2.86, HBA 6, HBD 1, PSA 94.23, QED 0.65
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC(O)CO3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: PECPVXATHUSMDW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.82 nM (pChEMBL 8.739999771118164)
Descriptors: MW 429.48, ALogP 2.14, HBA 7, HBD 2, PSA 114.46, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: WMUSVQYISLQOOI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 2.42 nM (pChEMBL 8.619999885559082)
Descriptors: MW 413.48, ALogP 3.17, HBA 6, HBD 1, PSA 94.23, QED 0.66
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCCC(N(C)C)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: XXHQDTCHRHSKFO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 12.84 nM (pChEMBL 7.889999866485596)
Descriptors: MW 468.61, ALogP 3.56, HBA 6, HBD 1, PSA 88.24, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCC(C)CC4)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: VCLAPUWSDVOZED-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 10.41 nM (pChEMBL 7.980000019073486)
Descriptors: MW 508.67, ALogP 4.34, HBA 6, HBD 1, PSA 88.24, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC4(CCN(C)CC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: NOBCZSIDCLOQEZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 14.54 nM (pChEMBL 7.840000152587891)
Descriptors: MW 508.67, ALogP 4.34, HBA 6, HBD 1, PSA 88.24, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: QXOKIFGIUZOQBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.41 nM (pChEMBL 8.850000381469727)
Descriptors: MW 544.68, ALogP 2.34, HBA 8, HBD 1, PSA 122.38, QED 0.5
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: LYWAOJLWRHFVIR-NRFANRHFSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 11.05 nM (pChEMBL 7.960000038146973)
Descriptors: MW 454.58, ALogP 3.17, HBA 6, HBD 1, PSA 88.24, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: LYWAOJLWRHFVIR-OAQYLSRUSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.78 nM (pChEMBL 8.75)
Descriptors: MW 454.58, ALogP 3.17, HBA 6, HBD 1, PSA 88.24, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCCC4C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: FDJLHUDQOYHTNM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 7.8 nM (pChEMBL 8.109999656677246)
Descriptors: MW 480.62, ALogP 3.7, HBA 6, HBD 1, PSA 88.24, QED 0.58
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCCCCC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: UMYCETFBDADDKA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 11.54 nM (pChEMBL 7.940000057220459)
Descriptors: MW 522.7, ALogP 4.87, HBA 6, HBD 1, PSA 88.24, QED 0.49
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N(C)C)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: CJRRDIRUXUQNTJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 3.23 nM (pChEMBL 8.489999771118164)
Descriptors: MW 468.61, ALogP 3.56, HBA 6, HBD 1, PSA 88.24, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)OC)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: QQOSVOCXFLYNDK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 2.87 nM (pChEMBL 8.539999961853027)
Descriptors: MW 401.47, ALogP 3.02, HBA 6, HBD 1, PSA 94.23, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: BPKWXBSQPKUOLV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 0.92 nM (pChEMBL 9.039999961853027)
Descriptors: MW 489.6, ALogP 2.65, HBA 7, HBD 1, PSA 119.14, QED 0.56
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: VIQZNMLBVAPZSJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 2.48 nM (pChEMBL 8.609999656677246)
Descriptors: MW 518.64, ALogP 2.5, HBA 7, HBD 1, PSA 122.38, QED 0.52
Compound (SMILES): CCOC(=O)N1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2C)CC1
InChIKey: HWYQOUOQSBJDQJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 2.68 nM (pChEMBL 8.569999694824219)
Descriptors: MW 498.59, ALogP 3.31, HBA 7, HBD 1, PSA 114.54, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: YMRREFUBKFMOKQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 9.66 nM (pChEMBL 8.020000457763672)
Descriptors: MW 468.56, ALogP 2.7, HBA 6, HBD 1, PSA 105.31, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: FAWHULSDDPIZJP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 3.5 nM (pChEMBL 8.460000038146973)
Descriptors: MW 508.67, ALogP 4.48, HBA 6, HBD 1, PSA 88.24, QED 0.52
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NCCN3CCOCC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: SIEAEIIDKZSXPG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 5.98 nM (pChEMBL 8.220000267028809)
Descriptors: MW 470.58, ALogP 2.45, HBA 7, HBD 2, PSA 106.26, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)CCN3CCCC3=O)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: LMHXIDGNSHJMLW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 15.32 nM (pChEMBL 7.820000171661377)
Descriptors: MW 482.59, ALogP 3.09, HBA 6, HBD 1, PSA 105.31, QED 0.54
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC4(CCN(C)C4)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: XLBIOUYBELFEDJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 4.51 nM (pChEMBL 8.350000381469727)
Descriptors: MW 480.62, ALogP 3.56, HBA 6, HBD 1, PSA 88.24, QED 0.58
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CCCCC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: OKGVTZIBZSTGQP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.23 nM (pChEMBL 8.90999984741211)
Descriptors: MW 522.7, ALogP 4.73, HBA 6, HBD 1, PSA 88.24, QED 0.49
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: LPCFSKYWYNICAE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.83 nM (pChEMBL 8.739999771118164)
Descriptors: MW 494.64, ALogP 4.09, HBA 6, HBD 1, PSA 88.24, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: DAFFDQWXZHICNF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 6.82 nM (pChEMBL 8.170000076293945)
Descriptors: MW 516.65, ALogP 4.35, HBA 6, HBD 1, PSA 88.24, QED 0.4
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: NDPPNGRRKNEZBW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 11.03 nM (pChEMBL 7.960000038146973)
Descriptors: MW 480.62, ALogP 3.56, HBA 6, HBD 1, PSA 88.24, QED 0.56
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: PIMGELZVLVNZAP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 5.09 nM (pChEMBL 8.289999961853027)
Descriptors: MW 497.6, ALogP 3.76, HBA 7, HBD 1, PSA 103.46, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(OC)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: ZMSIZBNZSLIBSN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 10.94 nM (pChEMBL 7.960000038146973)
Descriptors: MW 455.56, ALogP 3.64, HBA 6, HBD 1, PSA 94.23, QED 0.6
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(C4CCN(C)CC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: MBCHVWKSUSNICJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 73.02 nM (pChEMBL 7.139999866485596)
Descriptors: MW 522.7, ALogP 4.59, HBA 6, HBD 1, PSA 88.24, QED 0.5
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CCCN(C)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: DOCRJNWJDMRWBC-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 3.43 nM (pChEMBL 8.460000038146973)
Descriptors: MW 454.58, ALogP 3.22, HBA 6, HBD 2, PSA 97.03, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC[S+]([O-])CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: CIQRRTLQKOJRFG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 5.86 nM (pChEMBL 8.229999542236328)
Descriptors: MW 459.58, ALogP 2.6, HBA 6, HBD 1, PSA 108.06, QED 0.48
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(C)(O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: RUJYCYDWFVQOJO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 6.62 nM (pChEMBL 8.180000305175781)
Descriptors: MW 455.56, ALogP 3.38, HBA 6, HBD 2, PSA 105.23, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](O)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: XYBKKUIKSLTIFA-IBGZPJMESA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 8.91 nM (pChEMBL 8.050000190734863)
Descriptors: MW 427.51, ALogP 2.6, HBA 6, HBD 2, PSA 105.23, QED 0.62
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](O)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: XYBKKUIKSLTIFA-LJQANCHMSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 28.7 nM (pChEMBL 7.539999961853027)
Descriptors: MW 427.51, ALogP 2.6, HBA 6, HBD 2, PSA 105.23, QED 0.62
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N(C)C)C3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: LYWAOJLWRHFVIR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 24.16 nM (pChEMBL 7.619999885559082)
Descriptors: MW 454.58, ALogP 3.17, HBA 6, HBD 1, PSA 88.24, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: LOXGIWMINHYAFZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 11.91 nM (pChEMBL 7.920000076293945)
Descriptors: MW 494.64, ALogP 4.09, HBA 6, HBD 1, PSA 88.24, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCNCC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: GNMAUKNVVNKHMP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 13.88 nM (pChEMBL 7.860000133514404)
Descriptors: MW 426.52, ALogP 2.44, HBA 6, HBD 2, PSA 97.03, QED 0.62
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)O)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: BWMFIUATFWKRIM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 27.44 nM (pChEMBL 7.559999942779541)
Descriptors: MW 387.44, ALogP 2.85, HBA 6, HBD 2, PSA 105.23, QED 0.41
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCCN(C)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: YLWOSCYHGCRZOY-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 14.3 nM (pChEMBL 7.840000152587891)
Descriptors: MW 454.58, ALogP 3.17, HBA 6, HBD 1, PSA 88.24, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(c4ccccn4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: MQIOQDQPEUJMJR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 17.09 nM (pChEMBL 7.769999980926514)
Descriptors: MW 503.61, ALogP 3.75, HBA 7, HBD 1, PSA 101.13, QED 0.42
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(c4ccncc4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: JPTXIHIIDFFEPR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 9.55 nM (pChEMBL 8.020000457763672)
Descriptors: MW 503.61, ALogP 3.75, HBA 7, HBD 1, PSA 101.13, QED 0.42
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: SOPYBDYIFOYRLI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 6.85 nM (pChEMBL 8.15999984741211)
Descriptors: MW 441.54, ALogP 2.99, HBA 6, HBD 2, PSA 105.23, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCCOCC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: VWSQSUNDEOKXKZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 4.16 nM (pChEMBL 8.380000114440918)
Descriptors: MW 441.54, ALogP 3.25, HBA 6, HBD 1, PSA 94.23, QED 0.63
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NCC3(C)COC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: ZFOPTXFHEOZRAF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 16.74 nM (pChEMBL 7.78000020980835)
Descriptors: MW 441.54, ALogP 3.16, HBA 6, HBD 2, PSA 103.02, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(c4ccccc4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1
InChIKey: PIBZFYVUEHJAKF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 3.15 nM (pChEMBL 8.5)
Descriptors: MW 502.62, ALogP 4.35, HBA 6, HBD 1, PSA 88.24, QED 0.42
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: FEJIEJMRLPNJMJ-HXUWFJFHSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 0.99 nM (pChEMBL 9)
Descriptors: MW 487.01, ALogP 3.66, HBA 6, HBD 1, PSA 88.24, QED 0.57
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: VIZDWFMDXKHPJD-HXUWFJFHSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.69 nM (pChEMBL 8.770000457763672)
Descriptors: MW 470.55, ALogP 3.14, HBA 6, HBD 1, PSA 88.24, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: FEJIEJMRLPNJMJ-FQEVSTJZSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 487.01, ALogP 3.66, HBA 6, HBD 1, PSA 88.24, QED 0.57
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: VIZDWFMDXKHPJD-FQEVSTJZSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.15 nM (pChEMBL 8.9399995803833)
Descriptors: MW 470.55, ALogP 3.14, HBA 6, HBD 1, PSA 88.24, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: CLSLSCNOLJJNCB-NRFANRHFSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 2.98 nM (pChEMBL 8.529999732971191)
Descriptors: MW 501.03, ALogP 4.05, HBA 6, HBD 1, PSA 88.24, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: ZXQLGEUAOSGDJY-NRFANRHFSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 5.45 nM (pChEMBL 8.260000228881836)
Descriptors: MW 484.58, ALogP 3.53, HBA 6, HBD 1, PSA 88.24, QED 0.57
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: ZXQLGEUAOSGDJY-OAQYLSRUSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 0.73 nM (pChEMBL 9.140000343322754)
Descriptors: MW 484.58, ALogP 3.53, HBA 6, HBD 1, PSA 88.24, QED 0.57
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: KKVNBLMTQLDRSE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 0.54 nM (pChEMBL 9.270000457763672)
Descriptors: MW 568.65, ALogP 2.55, HBA 8, HBD 1, PSA 122.38, QED 0.43
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4ccnc4C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: IPQHUWHABHOECT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.36 nM (pChEMBL 8.869999885559082)
Descriptors: MW 485.5, ALogP 3.21, HBA 7, HBD 1, PSA 102.82, QED 0.45
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4cnnc4C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: VFHPBAUTOKQYCD-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 0.89 nM (pChEMBL 9.050000190734863)
Descriptors: MW 486.49, ALogP 2.61, HBA 8, HBD 1, PSA 115.71, QED 0.44
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCn4c(C)cnc4C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: JXXSTUWGDVXVLU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase mTOR (SINGLE PROTEIN), Homo sapiens
UniProt: P42345
Assay: mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologically relevant protein substrate for mTOR (4E-BP1, labeled with an acceptor fluorophore (Green Fluorescent Protein) and paired with a corresponding Tb-labeled phospho-specific antibody. The assay itself can be divided into two phases: the reaction phase and the detection phase.
Measurement: IC50 = 1.75 nM (pChEMBL 8.760000228881836)
Descriptors: MW 499.53, ALogP 3.52, HBA 7, HBD 1, PSA 102.82, QED 0.43