lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1nc(C#Cc2ccc(-c3ccc(F)c(C)c3)nc2)cs1
InChIKey: IPHBDSABYDEJQA-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 5.5 nM (pChEMBL 8.260000228881836)
Descriptors: MW 308.38, ALogP 4.36, HBA 3, HBD 0, PSA 25.78, QED 0.62
Compound (SMILES): Cc1nc(C#Cc2ccc(N(C)c3ccccn3)nc2)cs1
InChIKey: VUNMAEJFDCEVKY-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 306.39, ALogP 3.41, HBA 5, HBD 0, PSA 41.91, QED 0.68
Compound (SMILES): COc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1F
InChIKey: IFJJLTUYVMOSPE-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 324.38, ALogP 4.06, HBA 4, HBD 0, PSA 35.01, QED 0.67
Compound (SMILES): Cc1cccc(-c2ccc(C#Cc3csc(C)n3)cn2)c1
InChIKey: PBACNLMUTVZHBM-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 290.39, ALogP 4.22, HBA 3, HBD 0, PSA 25.78, QED 0.63
Compound (SMILES): Cc1nc(C#Cc2ccc(N3C4CCC3CC4)nc2)cs1
InChIKey: QIHFVIIIJQDIAK-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 295.41, ALogP 3.38, HBA 4, HBD 0, PSA 29.02, QED 0.76
Compound (SMILES): Cc1ccc(F)c(-c2ccc(C#Cc3csc(C)n3)cn2)c1
InChIKey: BUHHHINRJQAEFO-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 308.38, ALogP 4.36, HBA 3, HBD 0, PSA 25.78, QED 0.62
Compound (SMILES): CCc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIKey: PAZNLKQXTFRUII-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 304.42, ALogP 4.48, HBA 3, HBD 0, PSA 25.78, QED 0.65
Compound (SMILES): Cc1nc(C#Cc2ccc(-c3cccc(CO)c3)nc2)cs1
InChIKey: PNZDHXFKDFJGKB-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 306.39, ALogP 3.41, HBA 4, HBD 1, PSA 46.01, QED 0.74
Compound (SMILES): Cc1nc(C#Cc2ccc(N3CCCCCC3)nc2)cs1
InChIKey: LWSIVTHPKKLLHI-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 7.5 nM (pChEMBL 8.119999885559082)
Descriptors: MW 297.43, ALogP 3.63, HBA 4, HBD 0, PSA 29.02, QED 0.75
Compound (SMILES): Cc1nc(C#Cc2ccc(N3C(C)CCC3C)nc2)cs1
InChIKey: HUVBJUGVVNPMFP-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 297.43, ALogP 3.62, HBA 4, HBD 0, PSA 29.02, QED 0.75
Compound (SMILES): CCC(C)(C)Nc1ccc(C#Cc2csc(C)n2)cn1
InChIKey: SPRMAMSXZVXOMC-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 285.42, ALogP 3.85, HBA 4, HBD 1, PSA 37.81, QED 0.87
Compound (SMILES): Cc1nc(C#Cc2ccc(-c3cccc(Cl)c3C)nc2)cs1
InChIKey: RFVZQKBECFOCQL-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 324.84, ALogP 4.88, HBA 3, HBD 0, PSA 25.78, QED 0.6
Compound (SMILES): Cc1nc(C#Cc2ccc(N3CCCC(F)C3)nc2)cs1
InChIKey: VAVROQILMNQMAG-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 301.39, ALogP 3.18, HBA 4, HBD 0, PSA 29.02, QED 0.76
Compound (SMILES): CC[C@H](C)Nc1ccc(C#Cc2csc(C)n2)cn1
InChIKey: LAPLDUHQSRFIHM-NSHDSACASA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 271.39, ALogP 3.46, HBA 4, HBD 1, PSA 37.81, QED 0.87
Compound (SMILES): Cc1nc(C#Cc2ccc(-c3cccc(C)c3C)nc2)cs1
InChIKey: HYSTXFQOXPXKLF-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 304.42, ALogP 4.53, HBA 3, HBD 0, PSA 25.78, QED 0.62
Compound (SMILES): CSc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIKey: KLTMJRVTZQMION-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 0.8 nM (pChEMBL 9.100000381469727)
Descriptors: MW 322.46, ALogP 4.64, HBA 4, HBD 0, PSA 25.78, QED 0.51
Compound (SMILES): Cc1nc(C#Cc2cncc(-c3ccc(CO)cc3)c2)cs1
InChIKey: IETZCGAQWDFJSC-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 8 nM (pChEMBL 8.100000381469727)
Descriptors: MW 306.39, ALogP 3.41, HBA 4, HBD 1, PSA 46.01, QED 0.74
Compound (SMILES): CCC(CC)Nc1ccc(C#Cc2csc(C)n2)cn1
InChIKey: LKCZAKASFTUBTN-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 285.42, ALogP 3.85, HBA 4, HBD 1, PSA 37.81, QED 0.87
Compound (SMILES): Cc1nc(C#Cc2cncc(CCc3ccccc3)c2)cs1
InChIKey: QNEZAUBGBZPAQV-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 304.42, ALogP 4.03, HBA 3, HBD 0, PSA 25.78, QED 0.68
Compound (SMILES): CC[C@@H](C)Nc1ccc(C#Cc2csc(C)n2)cn1
InChIKey: LAPLDUHQSRFIHM-LLVKDONJSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 271.39, ALogP 3.46, HBA 4, HBD 1, PSA 37.81, QED 0.87
Compound (SMILES): Cc1nc(C#Cc2ccc(N3CCCC3)nc2)cs1
InChIKey: WZKWCQOOWISSMN-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 269.37, ALogP 2.85, HBA 4, HBD 0, PSA 29.02, QED 0.75
Compound (SMILES): Cc1nc(C#Cc2ccc(-c3cccc(C#N)c3)nc2)cs1
InChIKey: VLONUPIVLHCTRM-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 301.37, ALogP 3.79, HBA 4, HBD 0, PSA 49.57, QED 0.64
Compound (SMILES): COCc1ccccc1-c1ccc(C#Cc2csc(C)n2)cn1
InChIKey: PCPBBAXMWGOZJC-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 4.5 nM (pChEMBL 8.350000381469727)
Descriptors: MW 320.42, ALogP 4.06, HBA 4, HBD 0, PSA 35.01, QED 0.68
Compound (SMILES): Cc1nc(C#Cc2ccc(NC(C)(C)C)nc2)cs1
InChIKey: NGTSFNQEGMOZIF-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 271.39, ALogP 3.46, HBA 4, HBD 1, PSA 37.81, QED 0.81
Compound (SMILES): Cc1nc(C#Cc2ccc(C3CC4CCC3C4)nc2)cs1
InChIKey: FGMFRBDGNKBVNJ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 294.42, ALogP 4.15, HBA 3, HBD 0, PSA 25.78, QED 0.74
Compound (SMILES): Cc1nc(C#Cc2ccc(N3CC4CCC3C4)nc2)cs1
InChIKey: FAPMZVXHGYWYBZ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 7.5 nM (pChEMBL 8.119999885559082)
Descriptors: MW 295.41, ALogP 3.24, HBA 4, HBD 0, PSA 29.02, QED 0.76
Compound (SMILES): Cc1nc(C#Cc2ccc(C3CCCC3)nc2)cs1
InChIKey: HTMLQNUYALZWPL-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 268.38, ALogP 3.9, HBA 3, HBD 0, PSA 25.78, QED 0.73
Compound (SMILES): Cc1nc(C#Cc2cncc(C3CC3)c2)cs1
InChIKey: HRXOYMIDEZMYOK-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 240.33, ALogP 3.12, HBA 3, HBD 0, PSA 25.78, QED 0.72
Compound (SMILES): Cc1nc(C#Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)cs1
InChIKey: ZYOZKWGFQMAXBA-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 344.36, ALogP 4.93, HBA 3, HBD 0, PSA 25.78, QED 0.58
Compound (SMILES): Cc1nc(C#Cc2ccc(Oc3ccccc3)nc2)cs1
InChIKey: AJLSIFSVPXGSSU-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 292.36, ALogP 4.04, HBA 4, HBD 0, PSA 35.01, QED 0.67
Compound (SMILES): Cc1nc(C#Cc2ccc(N3CCC(C)CC3)nc2)cs1
InChIKey: MENDNJIPQJFLRA-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 297.43, ALogP 3.48, HBA 4, HBD 0, PSA 29.02, QED 0.75
Compound (SMILES): Cc1nc(C#Cc2cncc(N(C)c3cccnc3)c2)cs1
InChIKey: IAHSYYSPDQZMFJ-UHFFFAOYSA-N
Target: Metabotropic glutamate receptor 5 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P31424
Assay: Binding Assay: Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications.
Measurement: Ki = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 306.39, ALogP 3.41, HBA 5, HBD 0, PSA 41.91, QED 0.68
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: SSAOLUQEPNDEQO-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 526.64, ALogP 3.03, HBA 8, HBD 1, PSA 106.7, QED 0.51
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CCOC)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: AGUQPSPLYMXJEI-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 500.6, ALogP 2.5, HBA 8, HBD 1, PSA 106.7, QED 0.49
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CC)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: NNLXPQJAYHKJRY-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 470.58, ALogP 2.87, HBA 7, HBD 1, PSA 97.47, QED 0.57
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: JZODXFVKLGMGKU-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 524.55, ALogP 3.41, HBA 7, HBD 1, PSA 97.47, QED 0.51
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: FDFYQLVTMBNTHI-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 534.64, ALogP 2.2, HBA 8, HBD 1, PSA 131.61, QED 0.48
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: IDFNAKGDSYLTBM-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 484.56, ALogP 2.4, HBA 7, HBD 1, PSA 114.54, QED 0.57
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CCO)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: DXRNNAXMRGAJBC-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 486.58, ALogP 1.84, HBA 8, HBD 2, PSA 117.7, QED 0.51
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: GBOUQEZUBKMLLZ-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 456.55, ALogP 2.48, HBA 7, HBD 1, PSA 97.47, QED 0.6
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCNC(=O)C3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: VKNPVEGBOPKZQJ-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 456.51, ALogP 1.66, HBA 7, HBD 2, PSA 123.33, QED 0.57
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CCN(C)C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1
InChIKey: SQGRWYXRGQETRW-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 513.65, ALogP 2.41, HBA 8, HBD 1, PSA 100.71, QED 0.48
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)F)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: RJQLIBITTSLUFF-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 494.52, ALogP 3.25, HBA 6, HBD 1, PSA 88.24, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCN(C)CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: YZYXXXVDPPGXGW-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 527.65, ALogP 3.07, HBA 7, HBD 1, PSA 91.48, QED 0.52
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: VLGFLFLDANVHKG-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 514.61, ALogP 3.16, HBA 7, HBD 1, PSA 97.47, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCN(C)CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: WEJJSFQXOHGWBL-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 527.65, ALogP 3.07, HBA 7, HBD 1, PSA 91.48, QED 0.52
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: DYQSVKFHWZYEPO-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 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 458.54, ALogP 3.05, HBA 6, HBD 2, PSA 97.03, QED 0.58
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)C3CCC(C)(O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: KGCKZWITSURBGM-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 4.35, HBA 6, HBD 2, PSA 101.99, QED 0.45
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCN(C5CCN(C)CC5)CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: TTWYGQNNRZQORN-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 610.78, ALogP 3.54, HBA 8, HBD 1, PSA 94.72, QED 0.44
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)O)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: XNROJVKOPNURFQ-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 391.41, ALogP 2.68, HBA 6, HBD 2, PSA 105.23, QED 0.4
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: SAIVSWMHOLLHBG-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 512.51, ALogP 3.54, HBA 6, HBD 1, PSA 88.24, QED 0.43
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: XWXQXQKJVLFVES-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 512.63, ALogP 4.31, HBA 6, HBD 1, PSA 88.24, QED 0.52
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: LXFGQYHRDFXPKF-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 2.82, HBA 6, HBD 2, PSA 105.23, QED 0.6
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)CC3CCCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: JRNNDXYWFNJIRI-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 486.6, ALogP 3.64, HBA 6, HBD 1, PSA 88.24, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NCC3CCCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: IRINDVKZILNGEL-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 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 472.57, ALogP 3.29, HBA 6, HBD 2, PSA 97.03, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NCC3CCN(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: LXSBHKIYYHJIKR-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 = 33 nM (pChEMBL 7.480000019073486)
Descriptors: MW 458.54, ALogP 2.9, HBA 6, HBD 2, PSA 97.03, QED 0.57
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)CC3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: GWAJFERWCREOMD-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 486.6, ALogP 3.64, HBA 6, HBD 1, PSA 88.24, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)NCC3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: FKGZNGYHECPQSP-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 472.57, ALogP 3.29, HBA 6, HBD 2, PSA 97.03, QED 0.55
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCN(CC)CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: GVYUIVNHTUHZCL-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 541.68, ALogP 3.46, HBA 7, HBD 1, PSA 91.48, QED 0.49
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCC(C(C)(C)O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: OQNJPLOGLRYYQL-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 487.58, ALogP 3.85, HBA 6, HBD 2, PSA 105.23, QED 0.54
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)CCC3(O)CCCC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: GNOCBFMCOCQDHI-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 487.58, ALogP 3.99, HBA 6, HBD 2, PSA 105.23, QED 0.51
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N(C)CC(C)(C)O)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: ADUBJHAQOLSRND-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 447.51, ALogP 3.07, HBA 6, HBD 2, PSA 105.23, QED 0.58
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C
InChIKey: RLSSCNMFDZFZPV-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 486.55, ALogP 2.83, HBA 6, HBD 1, PSA 105.31, QED 0.57
Compound (SMILES): CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1
InChIKey: AUITVYDQGYFFNN-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 486.6, ALogP 3.78, HBA 6, HBD 1, PSA 88.24, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCOCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: VXSYXESJOLXABR-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 514.61, ALogP 3.16, HBA 7, HBD 1, PSA 97.47, QED 0.53
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: XDRMNEHXXCSJDU-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 515.59, ALogP 2.07, HBA 7, HBD 1, PSA 108.55, QED 0.52
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(C4CCS(=O)(=O)C4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: PVVNPKKVRBGINJ-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 548.64, ALogP 2.17, HBA 8, HBD 1, PSA 122.38, QED 0.49
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCCC4C3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: ZXQLGEUAOSGDJY-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 484.58, ALogP 3.53, HBA 6, HBD 1, PSA 88.24, QED 0.57
Compound (SMILES): CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CCCO4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1
InChIKey: AGNNECORVWYOSN-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 514.61, ALogP 3.16, HBA 7, HBD 1, PSA 97.47, QED 0.52