lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)cc2)c1C#Cc1ccc(N)nc1
InChIKey: DVEMKUAALATMDU-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 nM (pChEMBL 8.399999618530273)
Descriptors: MW 516.63, ALogP 1.77, HBA 8, HBD 1, PSA 122.38, QED 0.52
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)cc2)c1C#Cc1ccc(N)nc1
InChIKey: IWIHZDXCNSYBLL-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 nM (pChEMBL 8.520000457763672)
Descriptors: MW 482.59, ALogP 2.77, HBA 7, HBD 1, PSA 97.47, QED 0.57
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)c1C#Cc1ccc(N)nc1
InChIKey: RTWCHJYGOFLPDB-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 nM (pChEMBL 8.520000457763672)
Descriptors: MW 442.52, ALogP 1.58, HBA 7, HBD 2, PSA 108.47, QED 0.59
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)cc2)c1C#Cc1ccc(N)nc1
InChIKey: RMIMZWQFVRCEID-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 nM (pChEMBL 8.399999618530273)
Descriptors: MW 466.59, ALogP 3.53, HBA 6, HBD 1, PSA 88.24, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CCCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: XTFSJLJOOQXHKX-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 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 458.54, ALogP 3.05, HBA 6, HBD 2, PSA 97.03, QED 0.58
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CC(N4CCN(C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: VONFXXSSJFKPNK-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 nM (pChEMBL 8.520000457763672)
Descriptors: MW 513.62, ALogP 2.73, HBA 7, HBD 2, PSA 100.27, QED 0.51
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: GRFDUUWXNPVOAS-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 nM (pChEMBL 7.820000171661377)
Descriptors: MW 444.51, ALogP 2.66, HBA 6, HBD 2, PSA 97.03, QED 0.6
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC[C@H]3CCCN3CC)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: PKJXKYVTJYQNPG-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 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 472.57, ALogP 3.44, HBA 6, HBD 2, PSA 97.03, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CCN(CCOC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: RGWYTANPSGDNEY-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 nM (pChEMBL 7.960000038146973)
Descriptors: MW 502.59, ALogP 3.06, HBA 7, HBD 2, PSA 106.26, QED 0.48
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CC(C)(C)N(C)C(C)(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: IDJOEEXNROJYDN-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 nM (pChEMBL 7.800000190734863)
Descriptors: MW 514.65, ALogP 4.6, HBA 6, HBD 2, PSA 97.03, QED 0.49
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](O)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: KUWGSNAXZXLPHP-KRWDZBQOSA-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 nM (pChEMBL 9)
Descriptors: MW 431.47, ALogP 2.43, HBA 6, HBD 2, PSA 105.23, QED 0.62
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](O)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: KUWGSNAXZXLPHP-QGZVFWFLSA-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 nM (pChEMBL 8.699999809265137)
Descriptors: MW 431.47, ALogP 2.43, HBA 6, HBD 2, PSA 105.23, QED 0.62
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CCCN(C4CCN(C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: UESPRRZMRKHHKI-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 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 541.68, ALogP 3.51, HBA 7, HBD 2, PSA 100.27, QED 0.48
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CC(N4CCN(O)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: GDDWNPOHSCSVOO-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 nM (pChEMBL 7.889999866485596)
Descriptors: MW 515.59, ALogP 2.49, HBA 8, HBD 3, PSA 120.5, QED 0.44
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CC(N4CCCCC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: QJUYJHHAXXJDGH-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 nM (pChEMBL 8)
Descriptors: MW 498.61, ALogP 3.97, HBA 6, HBD 2, PSA 97.03, QED 0.52
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CC(N4CCC(N5CCCC5)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: HBXOBFYWANCBAL-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 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 567.71, ALogP 4.04, HBA 7, HBD 2, PSA 100.27, QED 0.43
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CC(N4CCCC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: PYKQGDGQYKLEFU-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 nM (pChEMBL 7.960000038146973)
Descriptors: MW 484.58, ALogP 3.58, HBA 6, HBD 2, PSA 97.03, QED 0.54
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CCN(C4CCN(C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: UDNXLTSRSSUKIN-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 nM (pChEMBL 8.149999618530273)
Descriptors: MW 527.65, ALogP 3.12, HBA 7, HBD 2, PSA 100.27, QED 0.49
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NCCN3CCCC3=O)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: XAMCSULWLMFXNB-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 nM (pChEMBL 8.300000190734863)
Descriptors: MW 472.52, ALogP 2.57, HBA 6, HBD 2, PSA 114.1, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CCS(=O)(=O)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: XUXFQNOITDLBBL-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 nM (pChEMBL 8.300000190734863)
Descriptors: MW 479.54, ALogP 2.14, HBA 7, HBD 2, PSA 127.93, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: NLCRTVPBMRDEFH-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 = 18 nM (pChEMBL 7.75)
Descriptors: MW 500.62, ALogP 4.26, HBA 6, HBD 3, PSA 105.82, QED 0.46
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NCC3(C)COC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: WCAZAKPQNWSACH-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 nM (pChEMBL 9)
Descriptors: MW 445.5, ALogP 2.99, HBA 6, HBD 2, PSA 103.02, QED 0.59
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N(C)C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: JQXHYLREINFLSA-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 nM (pChEMBL 8.699999809265137)
Descriptors: MW 458.54, ALogP 3, HBA 6, HBD 1, PSA 88.24, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)C3CCS(=O)(=O)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: YPCCVXJXZXZPEQ-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 nM (pChEMBL 9)
Descriptors: MW 493.56, ALogP 2.48, HBA 7, HBD 1, PSA 119.14, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NCCN3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: VWWQONBXUUJAMF-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 nM (pChEMBL 8.399999618530273)
Descriptors: MW 474.54, ALogP 2.28, HBA 7, HBD 2, PSA 106.26, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCCO3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: XRBLQTMXBRMMHE-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 nM (pChEMBL 8.300000190734863)
Descriptors: MW 417.44, ALogP 3, HBA 6, HBD 1, PSA 94.23, QED 0.66
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCCCO3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: QGQCUJRMNQIEDZ-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 nM (pChEMBL 7.960000038146973)
Descriptors: MW 431.47, ALogP 3.39, HBA 6, HBD 1, PSA 94.23, QED 0.64
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC(O)CO3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: SSPFXPFUALWKTO-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 nM (pChEMBL 8.149999618530273)
Descriptors: MW 433.44, ALogP 1.97, HBA 7, HBD 2, PSA 114.46, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)OC)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: HBIMKBBGJXQGMY-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 nM (pChEMBL 8.149999618530273)
Descriptors: MW 405.43, ALogP 2.86, HBA 6, HBD 1, PSA 94.23, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCCO3)cc2)c1C#Cc1ccc(N)nc1
InChIKey: BOJADHJSGIYKND-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 nM (pChEMBL 8)
Descriptors: MW 399.45, ALogP 2.86, HBA 6, HBD 1, PSA 94.23, QED 0.68
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCCCO3)cc2)c1C#Cc1ccc(N)nc1
InChIKey: UFFLATSSXYBHLR-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 nM (pChEMBL 7.889999866485596)
Descriptors: MW 413.48, ALogP 3.25, HBA 6, HBD 1, PSA 94.23, QED 0.66
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC(O)CO3)cc2)c1C#Cc1ccc(N)nc1
InChIKey: VKNCHRHOXLHESX-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 nM (pChEMBL 7.920000076293945)
Descriptors: MW 415.45, ALogP 1.83, HBA 7, HBD 2, PSA 114.46, QED 0.63
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)OC)cc2)c1C#Cc1ccc(N)nc1
InChIKey: CUVWRYOVGZYIIV-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 nM (pChEMBL 7.800000190734863)
Descriptors: MW 387.44, ALogP 2.72, HBA 6, HBD 1, PSA 94.23, QED 0.55
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CCCO3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: AZSTYRYVRLXDFR-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 nM (pChEMBL 8)
Descriptors: MW 403.42, ALogP 2.75, HBA 6, HBD 1, PSA 94.23, QED 0.66
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CCCCO3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: NCUIKEREXAIVDH-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 nM (pChEMBL 7.769999980926514)
Descriptors: MW 417.44, ALogP 3.14, HBA 6, HBD 1, PSA 94.23, QED 0.64
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CC(O)CO3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: CAZSFPXTODYNIQ-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 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 419.42, ALogP 1.72, HBA 7, HBD 2, PSA 114.46, QED 0.61
Compound (SMILES): CON(C)C(=O)c1ccc(-c2ncnc(C)c2C#Cc2ccc(N)nc2)cc1F
InChIKey: IMWDNDGMPMCVGY-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 nM (pChEMBL 7.920000076293945)
Descriptors: MW 391.41, ALogP 2.6, HBA 6, HBD 1, PSA 94.23, QED 0.54
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: SCZLIDKBTXXXLS-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 nM (pChEMBL 7.820000171661377)
Descriptors: MW 419.87, ALogP 3.26, HBA 6, HBD 1, PSA 94.23, QED 0.64
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CCCCO3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: CIXXWJUPCRXLEC-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 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 433.9, ALogP 3.65, HBA 6, HBD 1, PSA 94.23, QED 0.62
Compound (SMILES): Cc1ncnc(-c2ccc(C(=O)N3CC(O)CO3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: OXCYLDKQSYHQHD-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 nM (pChEMBL 8.050000190734863)
Descriptors: MW 435.87, ALogP 2.23, HBA 7, HBD 2, PSA 114.46, QED 0.59
Compound (SMILES): CON(C)C(=O)c1ccc(-c2ncnc(C)c2C#Cc2ccc(N)nc2)cc1Cl
InChIKey: FLPZZBWHQYGQMT-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 nM (pChEMBL 7.769999980926514)
Descriptors: MW 407.86, ALogP 3.12, HBA 6, HBD 1, PSA 94.23, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCOCC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: METSGOGFKFMITK-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 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 500.58, ALogP 2.77, HBA 7, HBD 1, PSA 97.47, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCCC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: ABNYACFXLIXBBW-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 nM (pChEMBL 7.769999980926514)
Descriptors: MW 484.58, ALogP 3.53, HBA 6, HBD 1, PSA 88.24, QED 0.57
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC[C@@H](N(C)C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: JQXHYLREINFLSA-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 = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 458.54, ALogP 3, HBA 6, HBD 1, PSA 88.24, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CC[C@H](N(C)C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: JQXHYLREINFLSA-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 = 18 nM (pChEMBL 7.75)
Descriptors: MW 458.54, ALogP 3, HBA 6, HBD 1, PSA 88.24, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N(CC)CC)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: DOVWFMLVRSFVPW-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 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 486.6, ALogP 3.78, HBA 6, HBD 1, PSA 88.24, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: XIQOYYIJMBJMPH-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 nM (pChEMBL 8.520000457763672)
Descriptors: MW 431.47, ALogP 2.69, HBA 6, HBD 1, PSA 94.23, QED 0.64
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)nc2)c1C#Cc1ccc(N)nc1
InChIKey: KOELLVSXLRMOMC-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 nM (pChEMBL 7.619999885559082)
Descriptors: MW 427.51, ALogP 1.87, HBA 7, HBD 1, PSA 101.13, QED 0.64
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: WPVJZZMEAKIEQW-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 = 1.29 nM (pChEMBL 8.890000343322754)
Descriptors: MW 462.5, ALogP 2.75, HBA 6, HBD 1, PSA 88.24, QED 0.6
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: AYKQWTUMCIMOFO-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 = 2.18 nM (pChEMBL 8.65999984741211)
Descriptors: MW 490.56, ALogP 3.53, HBA 6, HBD 1, PSA 88.24, QED 0.56
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: XVJNXINQULRUSZ-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 = 2.24 nM (pChEMBL 8.649999618530273)
Descriptors: MW 476.53, ALogP 3.14, HBA 6, HBD 1, PSA 88.24, QED 0.58
Compound (SMILES): CCCN1CCN(C(=O)c2c(F)cc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1
InChIKey: DIJVXTHTUCMDST-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 = 2.14 nM (pChEMBL 8.670000076293945)
Descriptors: MW 490.56, ALogP 3.53, HBA 6, HBD 1, PSA 88.24, QED 0.55
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCOC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: KJWISZTXRAFJRG-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 = 2.15 nM (pChEMBL 8.670000076293945)
Descriptors: MW 506.56, ALogP 2.77, HBA 7, HBD 1, PSA 97.47, QED 0.51
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: INVXZIIHCKLVCZ-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 = 0.35 nM (pChEMBL 9.460000038146973)
Descriptors: MW 532.6, ALogP 3.3, HBA 7, HBD 1, PSA 97.47, QED 0.52
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC4CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: VSHOLVLSSFDEKC-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 = 0.94 nM (pChEMBL 9.029999732971191)
Descriptors: MW 502.57, ALogP 3.53, HBA 6, HBD 1, PSA 88.24, QED 0.54
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: RXWPXDATLCKAGC-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 = 7.52 nM (pChEMBL 8.119999885559082)
Descriptors: MW 504.59, ALogP 3.92, HBA 6, HBD 1, PSA 88.24, QED 0.54
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCC(N4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: SUUMWGNYUOCOLH-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 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 532.6, ALogP 3.3, HBA 7, HBD 1, PSA 97.47, QED 0.52
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N(C)C)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: DJDMOZPHORDJAO-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 = 2.49 nM (pChEMBL 8.600000381469727)
Descriptors: MW 407.42, ALogP 3.06, HBA 5, HBD 1, PSA 85, QED 0.67
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCCC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: HPFFUPAXSKPNNJ-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 = 0.94 nM (pChEMBL 9.029999732971191)
Descriptors: MW 433.46, ALogP 3.6, HBA 5, HBD 1, PSA 85, QED 0.64
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)NC)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: VSYWBEGZQHLXGX-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 = 3.42 nM (pChEMBL 8.470000267028809)
Descriptors: MW 393.4, ALogP 2.72, HBA 5, HBD 2, PSA 93.79, QED 0.67
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)NCCN3CCOCC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: LVKAVMMRQZPDQN-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 = 3.79 nM (pChEMBL 8.420000076293945)
Descriptors: MW 492.53, ALogP 2.42, HBA 7, HBD 2, PSA 106.26, QED 0.51
Compound (SMILES): CCc1ncnc(-c2cc(F)c(C(=O)N3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: KZMQGBUVYQNFQQ-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 = 1.02 nM (pChEMBL 8.989999771118164)
Descriptors: MW 448.48, ALogP 2.41, HBA 6, HBD 2, PSA 97.03, QED 0.6
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3C[C@H]4C[C@@H]3CN4C)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: IGEMXXAPAKUCDH-RTBURBONSA-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 = 20.91 nM (pChEMBL 7.679999828338623)
Descriptors: MW 456.53, ALogP 2.75, HBA 6, HBD 1, PSA 88.24, QED 0.61
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)OCCCO4)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: ZFQNDDZFBIFCNO-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 = 8.74 nM (pChEMBL 8.0600004196167)
Descriptors: MW 518.02, ALogP 4.11, HBA 7, HBD 1, PSA 103.46, QED 0.52
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: YKHWDAQHASKZPG-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 = 4.5 nM (pChEMBL 8.350000381469727)
Descriptors: MW 504.03, ALogP 4.36, HBA 6, HBD 2, PSA 105.23, QED 0.51
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC4(CCN(C)CC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: GHHYFYAVCPATPG-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 = 32.11 nM (pChEMBL 7.489999771118164)
Descriptors: MW 529.09, ALogP 4.68, HBA 6, HBD 1, PSA 88.24, QED 0.5
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: HJDCJWAEZLVBED-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 = 2.8 nM (pChEMBL 8.550000190734863)
Descriptors: MW 461.95, ALogP 3.33, HBA 6, HBD 2, PSA 105.23, QED 0.58
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC4(CCN(C)C4)C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
InChIKey: ISTCFQQWAZNYMD-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 = 40.09 nM (pChEMBL 7.400000095367432)
Descriptors: MW 501.03, ALogP 3.9, HBA 6, HBD 1, PSA 88.24, QED 0.55
Compound (SMILES): CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2OC)CC1
InChIKey: CRMCETCPMDFMLH-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 = 4.52 nM (pChEMBL 8.350000381469727)
Descriptors: MW 498.63, ALogP 3.65, HBA 7, HBD 1, PSA 97.47, QED 0.5
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: TWXUEKQNZGLXCY-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 = 11.35 nM (pChEMBL 7.949999809265137)
Descriptors: MW 499.62, ALogP 3.71, HBA 7, HBD 2, PSA 114.46, QED 0.51