lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C(=O)N6CC[C@H](F)C6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: BMQKRSZIBFNLAW-INIZCTEOSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 538 nM (pChEMBL 6.269999980926514)
Descriptors: MW 471.5, ALogP 3.54, HBA 6, HBD 3, PSA 125.69, QED 0.35
Compound (SMILES): Cc1nc2ccc(-n3ncc(C(=O)c4[nH]c5ccccc5c4F)c3N)cc2[nH]1
InChIKey: XMEUXGVNDCEFRR-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 374.38, ALogP 3.49, HBA 5, HBD 3, PSA 105.38, QED 0.42
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C6CCN(C(C)C)CC6)c(C(F)(F)F)cc5[nH]4)c3N)ccc2[nH]1
InChIKey: JHNXJFLNZAUFGJ-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 549.6, ALogP 5.96, HBA 6, HBD 3, PSA 108.62, QED 0.23
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)C4=CC5C=CC(C#N)=CC5N4)c3N)ccc2[nH]1
InChIKey: IRVNUYFGIYEUAJ-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 6.2 nM (pChEMBL 8.210000038146973)
Descriptors: MW 383.42, ALogP 2.31, HBA 7, HBD 3, PSA 125.41, QED 0.6
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C6=CCNCC6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: POBFQGSWQFFYGS-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 437.51, ALogP 3.73, HBA 6, HBD 4, PSA 117.41, QED 0.32
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C6CCNCC6)c(F)cc5[nH]4)c3N)ccc2[nH]1
InChIKey: JFNNPQNEIJFJLP-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 457.51, ALogP 3.96, HBA 6, HBD 4, PSA 117.41, QED 0.3
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C6CCN(C(C)C)CC6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: DPUPBFOGQNPWHT-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 481.6, ALogP 4.94, HBA 6, HBD 3, PSA 108.62, QED 0.31
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(-c6cccnc6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: UBHNHZFEBHPHCU-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 433.48, ALogP 4.41, HBA 6, HBD 3, PSA 118.27, QED 0.36
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(-c6ccc(O)nc6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: UJNSYJXIQWRZLK-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 449.47, ALogP 4.12, HBA 7, HBD 4, PSA 138.5, QED 0.3
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(C6CCN(C)CC6)cc5[nH]4)c3N)ccc2[nH]1
InChIKey: RBZPOZTUZQJYKH-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 8.4 nM (pChEMBL 8.079999923706055)
Descriptors: MW 453.55, ALogP 4.16, HBA 6, HBD 3, PSA 108.62, QED 0.35
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(CN6C(C)CCC6C)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: HFFXKEYAEKHCQX-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 467.58, ALogP 4.72, HBA 6, HBD 3, PSA 108.62, QED 0.32
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(CN6CCCC(F)C6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: SPXNVPJERGMJSD-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 8.5 nM (pChEMBL 8.069999694824219)
Descriptors: MW 471.54, ALogP 4.29, HBA 6, HBD 3, PSA 108.62, QED 0.33
Compound (SMILES): CN1CCC(c2ccc3[nH]c(C(=O)c4cnn(-c5ccc6[nH]c(C(F)F)nc6c5)c4N)cc3c2)CC1
InChIKey: MHVVNNKZAOUIQX-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 489.53, ALogP 4.79, HBA 6, HBD 3, PSA 108.62, QED 0.31
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C6CCN(C7CCCC7)CC6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: LXTAEWHGOAKRPZ-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 507.64, ALogP 5.47, HBA 6, HBD 3, PSA 108.62, QED 0.27
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc(Br)c[nH]4)c3N)ccc2[nH]1
InChIKey: WHWYKJVHWRZOHC-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 385.23, ALogP 2.96, HBA 5, HBD 3, PSA 105.38, QED 0.47
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4ccc[nH]4)c3N)ccc2[nH]1
InChIKey: DMPRVNCJBAALGL-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 510 nM (pChEMBL 6.289999961853027)
Descriptors: MW 306.33, ALogP 2.2, HBA 5, HBD 3, PSA 105.38, QED 0.5
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc(-c5cccc(F)c5)c[nH]4)c3N)ccc2[nH]1
InChIKey: NEZWQSDNUYDARK-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 400.42, ALogP 4, HBA 5, HBD 3, PSA 105.38, QED 0.4
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(CN6CCOCC6)cc5[nH]4)c3N)ccc2[nH]1
InChIKey: TVWOUPGUUIDZET-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of human KDR by time-resolved fluorescence or time-resolved fluorescence assay
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 455.52, ALogP 3.18, HBA 7, HBD 3, PSA 117.85, QED 0.35
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5c(NCCN6CCOCC6)cccc5[nH]4)c3N)ccc2[nH]1
InChIKey: NYNQETWJMMSWJX-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 484.56, ALogP 3.1, HBA 8, HBD 4, PSA 129.88, QED 0.26
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C(=O)N6CCN(C)CC6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: DCWCFKXCIYCNTA-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 482.55, ALogP 2.74, HBA 7, HBD 3, PSA 128.93, QED 0.34
Compound (SMILES): COCCNc1cccc2[nH]c(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)cc12
InChIKey: CMQYMJDTQIBHDE-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 429.48, ALogP 3.41, HBA 7, HBD 4, PSA 126.64, QED 0.23
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5c(NC(CO)CO)cccc5[nH]4)c3N)ccc2[nH]1
InChIKey: XPJRQSVFOCSTQP-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 445.48, ALogP 2.12, HBA 8, HBD 6, PSA 157.87, QED 0.21
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5c(NCCc6ccncc6)cccc5[nH]4)c3N)ccc2[nH]1
InChIKey: QIRFTSVGPCWENL-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 476.54, ALogP 4.4, HBA 7, HBD 4, PSA 130.3, QED 0.25
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(N6CCOCC6)cc5[nH]4)c3N)ccc2[nH]1
InChIKey: HEAOOEBHFBBENP-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 441.5, ALogP 3.19, HBA 7, HBD 3, PSA 117.85, QED 0.37
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C(=O)N6CCOCC6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: XGETWASHPOMFBX-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 9.1 nM (pChEMBL 8.039999961853027)
Descriptors: MW 469.51, ALogP 2.82, HBA 7, HBD 3, PSA 134.92, QED 0.35
Compound (SMILES): Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2[nH]c(C(F)(F)F)nc2c1
InChIKey: HEZGMTWUCUPINC-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 200 nM (pChEMBL 6.699999809265137)
Descriptors: MW 410.36, ALogP 4.06, HBA 5, HBD 3, PSA 105.38, QED 0.39
Compound (SMILES): CCc1nc2cc(-n3ncc(C(=O)c4cc5ccccc5[nH]4)c3N)ccc2[nH]1
InChIKey: FNTYYRMQLQQXEI-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: Inhibition of human KDR by time-resolved fluorescence or time-resolved fluorescence assay
Measurement: IC50 = 1700 nM (pChEMBL 5.769999980926514)
Descriptors: MW 370.42, ALogP 3.61, HBA 5, HBD 3, PSA 105.38, QED 0.42
Compound (SMILES): Nc1c(C(=O)c2cc3ccccc3[nH]2)cnn1-c1ccc2[nH]c(Cc3ccccc3)nc2c1
InChIKey: SHMHUSCNIYPOFW-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 320 nM (pChEMBL 6.5)
Descriptors: MW 432.49, ALogP 4.63, HBA 5, HBD 3, PSA 105.38, QED 0.35
Compound (SMILES): Cc1nc2c([nH]1)CCC(n1ncc(C(=O)c3cc4cc(CN5CCN(S(C)(=O)=O)CC5)ccc4[nH]3)c1N)=C2
InChIKey: ZHJNDQAMSAUBBB-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 534.65, ALogP 2.23, HBA 8, HBD 3, PSA 146, QED 0.32
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(CN6CCNCC6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: ZDHGZDSUPWLHQJ-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 454.54, ALogP 2.76, HBA 7, HBD 4, PSA 120.65, QED 0.3
Compound (SMILES): CC(=O)N1CCN(Cc2ccc3cc(C(=O)c4cnn(-c5ccc6[nH]c(C)nc6c5)c4N)[nH]c3c2)CC1
InChIKey: GZRXWBJYUJUZNW-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 6.3 nM (pChEMBL 8.199999809265137)
Descriptors: MW 496.58, ALogP 3.02, HBA 7, HBD 3, PSA 128.93, QED 0.32
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(CN6CCN(C)CC6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: VEFIZLZPHCCAQO-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 4.8 nM (pChEMBL 8.319999694824219)
Descriptors: MW 468.57, ALogP 3.1, HBA 7, HBD 3, PSA 111.86, QED 0.34
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(CN6CCCC6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: NDXXZPUMKRBNQB-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 4.6 nM (pChEMBL 8.34000015258789)
Descriptors: MW 439.52, ALogP 3.95, HBA 6, HBD 3, PSA 108.62, QED 0.36
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5c(F)cccc5[nH]4)c3N)ccc2[nH]1
InChIKey: CLPXGKIBPZOTAS-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 374.38, ALogP 3.49, HBA 5, HBD 3, PSA 105.38, QED 0.42
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5c([nH]4)=CC(CN4CCOCC4)C(F)C=5)c3N)ccc2[nH]1
InChIKey: JPCRGCMZCOBSNE-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 3.6 nM (pChEMBL 8.4399995803833)
Descriptors: MW 475.53, ALogP 1.06, HBA 7, HBD 3, PSA 117.85, QED 0.37
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C(=O)O)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: MQFRLYRFRPJFEY-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 400.4, ALogP 3.05, HBA 6, HBD 4, PSA 142.68, QED 0.34
Compound (SMILES): COc1cc(OC)c2cc(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)[nH]c2c1
InChIKey: LZUCMYASLOBNKP-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 416.44, ALogP 3.37, HBA 7, HBD 3, PSA 123.84, QED 0.38
Compound (SMILES): COc1ccc2cc(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)[nH]c2c1
InChIKey: SGDXIVFGEXXEAO-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 386.42, ALogP 3.36, HBA 6, HBD 3, PSA 114.61, QED 0.41
Compound (SMILES): Cc1cc(C)c2cc(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)[nH]c2c1
InChIKey: CTTRKDHLWWJCCI-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 384.44, ALogP 3.97, HBA 5, HBD 3, PSA 105.38, QED 0.41
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(C(C)(C)C)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: BQHKHXMCVZGNBQ-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 56 nM (pChEMBL 7.25)
Descriptors: MW 412.5, ALogP 4.65, HBA 5, HBD 3, PSA 105.38, QED 0.38
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(Oc6ccccc6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: QKMYJNCUYMFPMF-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 110 nM (pChEMBL 6.960000038146973)
Descriptors: MW 448.49, ALogP 5.14, HBA 6, HBD 3, PSA 114.61, QED 0.32
Compound (SMILES): CSc1ccc2cc(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)[nH]c2c1
InChIKey: CXALXWSKLQJHRX-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 402.48, ALogP 4.07, HBA 6, HBD 3, PSA 105.38, QED 0.31
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(F)c(C(F)(F)F)cc5[nH]4)c3N)ccc2[nH]1
InChIKey: ADTITEYDHLKQCU-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 29 nM (pChEMBL 7.539999961853027)
Descriptors: MW 442.38, ALogP 4.51, HBA 5, HBD 3, PSA 105.38, QED 0.28
Compound (SMILES): COc1cc2[nH]c(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)cc2cc1Cl
InChIKey: RDFNGKQMOZKREL-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 420.86, ALogP 4.01, HBA 6, HBD 3, PSA 114.61, QED 0.38
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(OCc6ccccc6)cc5[nH]4)c3N)ccc2[nH]1
InChIKey: NZBLGNHPIFEHLU-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 462.51, ALogP 4.93, HBA 6, HBD 3, PSA 114.61, QED 0.3
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5c(OC(C)C)cccc5[nH]4)c3N)ccc2[nH]1
InChIKey: KTZAXOPOMIBTDN-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 414.47, ALogP 4.14, HBA 6, HBD 3, PSA 114.61, QED 0.37
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc6c(cc5[nH]4)OCCO6)c3N)ccc2[nH]1
InChIKey: SLLCQDKQRQLXEO-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 7.6 nM (pChEMBL 8.119999885559082)
Descriptors: MW 414.43, ALogP 3.12, HBA 7, HBD 3, PSA 123.84, QED 0.39
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5c(C(C)(C)C)cc(C(C)(C)C)cc5[nH]4)c3N)ccc2[nH]1
InChIKey: QAXXFBBSSGFFAE-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 5.5 nM (pChEMBL 8.260000228881836)
Descriptors: MW 468.61, ALogP 5.95, HBA 5, HBD 3, PSA 105.38, QED 0.28
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(-n6ccnc6)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: STGSCEBJQRFOSA-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 422.45, ALogP 3.54, HBA 7, HBD 3, PSA 123.2, QED 0.38
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4cc5cc(SC(F)(F)F)ccc5[nH]4)c3N)ccc2[nH]1
InChIKey: DOUQJCMUZWYEEN-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 78 nM (pChEMBL 7.110000133514404)
Descriptors: MW 456.45, ALogP 4.96, HBA 6, HBD 3, PSA 105.38, QED 0.26
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4nc5ccccc5s4)c3N)ccc2[nH]1
InChIKey: IVGKGVVDKSMSSX-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 374.43, ALogP 3.48, HBA 7, HBD 2, PSA 102.48, QED 0.47
Compound (SMILES): Cc1nc2cc(-n3ncc(C(=O)c4ccc(F)cc4)c3N)ccc2[nH]1
InChIKey: AJYHQOVGZKVPCX-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P21802
Assay: Enzyme Inhibition Assay: The FGFR2-inhibiting activity was measured based on the activity to inhibit phosphorylation of the biotinylated peptide EGPWLEEEEEAYGWMDF by the human FGFR2 enzyme prepared using a baculovirus expression system. Phosphorylated biotinylated peptides were detected by the time-resolved fluorescent measurement using a europium cryptate-linked anti-phophotyrosine antibody and a streptavidin to which XL665, a derivative of allophycocyanine, is linked. The 50% inhibitory concentration (IC50) was calculated based on the inhibitory rate against the control group without test substances.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 335.34, ALogP 3.01, HBA 5, HBD 2, PSA 89.59, QED 0.56