lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=c1[nH]cccc1-c1cccn2nc(Nc3ccc4ncccc4c3)nc12
InChIKey: OACSLTJBPBMQHG-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 224.04 nM (pChEMBL 6.650000095367432)
Descriptors: MW 354.37, ALogP 3.38, HBA 6, HBD 2, PSA 87.97, QED 0.52
Compound (SMILES): COc1ncc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc12
InChIKey: SQCVHPRTROTKAZ-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 568.6, ALogP 6.68, HBA 8, HBD 1, PSA 93.88, QED 0.29
Compound (SMILES): COc1ncc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12
InChIKey: VMNOXOSQLRGWFQ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 132.71 nM (pChEMBL 6.880000114440918)
Descriptors: MW 468.48, ALogP 5.03, HBA 7, HBD 2, PSA 76.37, QED 0.43
Compound (SMILES): COc1ncc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3)nc12
InChIKey: SIJHEZJMLCLWJK-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2243.29 nM (pChEMBL 5.650000095367432)
Descriptors: MW 553.59, ALogP 4.83, HBA 8, HBD 1, PSA 87.89, QED 0.35
Compound (SMILES): CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3nc4c(-c5cnn(-c6ccc(F)cc6)c5)cccn4n3)cc2)CC1
InChIKey: ZVSXTXDMLKZFIE-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 553.64, ALogP 6.58, HBA 8, HBD 1, PSA 89.58, QED 0.26
Compound (SMILES): CC(=O)Nc1ccc(Sc2cccn3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc23)cc1
InChIKey: QKRSROPAINLTDB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 558.71, ALogP 6.7, HBA 8, HBD 2, PSA 100.86, QED 0.27
Compound (SMILES): Fc1ccc(-n2cc(-c3cccn4nc(Nc5ccc(C6CCNCC6)cc5)nc34)cn2)cc1
InChIKey: OBYQEAJRBHZJFM-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 999 nM (pChEMBL 6)
Descriptors: MW 453.53, ALogP 4.93, HBA 7, HBD 2, PSA 72.07, QED 0.39
Compound (SMILES): CN(C)C(=O)CN1CCC(c2ccc(Nc3nc4c(-c5cnn(-c6ccc(F)cc6)c5)cccn4n3)cc2)CC1
InChIKey: WRKUJCHNZTZQDY-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 46.05 nM (pChEMBL 7.340000152587891)
Descriptors: MW 538.63, ALogP 4.73, HBA 8, HBD 1, PSA 83.59, QED 0.32
Compound (SMILES): COc1cnc(-c2cccn3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc23)cn1
InChIKey: CKARLZQNJNQNMT-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1491.53 nM (pChEMBL 5.829999923706055)
Descriptors: MW 501.59, ALogP 5.05, HBA 9, HBD 1, PSA 106.77, QED 0.4
Compound (SMILES): COc1cnc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)cn1
InChIKey: XHTGSTGWTPDFRH-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2467.32 nM (pChEMBL 5.610000133514404)
Descriptors: MW 401.47, ALogP 3.41, HBA 8, HBD 2, PSA 89.26, QED 0.53
Compound (SMILES): COc1cnc(-c2cccn3nc(Nc4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4)nc23)cn1
InChIKey: WFNKRYLLLYURQX-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2999 nM (pChEMBL 5.519999980926514)
Descriptors: MW 486.58, ALogP 3.21, HBA 9, HBD 1, PSA 100.78, QED 0.43
Compound (SMILES): Cc1ccc(-n2cc(-c3cccn4nc(Nc5ccc(C6CCN(C(=O)OC(C)(C)C)CC6)cc5)nc34)cn2)cc1
InChIKey: ODZHNBYUEJWNEB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1690.16 nM (pChEMBL 5.769999980926514)
Descriptors: MW 549.68, ALogP 6.75, HBA 8, HBD 1, PSA 89.58, QED 0.26
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(-c5cnn(-c6ccc(F)cc6)c5)cccn4n3)c2)CC1
InChIKey: IKSAIXVNKQVIBX-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 5.64 nM (pChEMBL 8.25)
Descriptors: MW 468.54, ALogP 4.22, HBA 8, HBD 1, PSA 66.52, QED 0.42
Compound (SMILES): Cc1ccc(-n2cc(-c3cccn4nc(Nc5ccc(C6CCNCC6)cc5)nc34)cn2)cc1
InChIKey: NKMIMIRRNQWVFS-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 4.04 nM (pChEMBL 8.390000343322754)
Descriptors: MW 449.56, ALogP 5.1, HBA 7, HBD 2, PSA 72.07, QED 0.39
Compound (SMILES): COc1ccc(C(F)(F)F)cc1Nc1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12
InChIKey: FEYPCTBDACCHEZ-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 497.53, ALogP 5, HBA 8, HBD 2, PSA 69.96, QED 0.39
Compound (SMILES): CC(C)COc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: SIEYNWSPYHUIFA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1792.1 nM (pChEMBL 5.75)
Descriptors: MW 427.55, ALogP 4.86, HBA 6, HBD 2, PSA 63.48, QED 0.46
Compound (SMILES): CC(C)COc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1
InChIKey: NZAFXJFWKPERBO-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 342.21 nM (pChEMBL 6.46999979019165)
Descriptors: MW 427.55, ALogP 4.86, HBA 6, HBD 2, PSA 63.48, QED 0.46
Compound (SMILES): Cc1ccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c(OCC(C)C)c1
InChIKey: BHEVMCCOVFJRDL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 441.58, ALogP 5.17, HBA 6, HBD 2, PSA 63.48, QED 0.43
Compound (SMILES): Cn1ncc2c(-c3cccn4nc(Nc5ccc6c(c5)CCNCC6)nc34)cccc21
InChIKey: BNGJPICGPJTHCP-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 16.54 nM (pChEMBL 7.78000020980835)
Descriptors: MW 409.5, ALogP 3.71, HBA 7, HBD 2, PSA 72.07, QED 0.48
Compound (SMILES): CC(C)Oc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: UXYXTSNQTKUIAG-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 56.24 nM (pChEMBL 7.25)
Descriptors: MW 413.53, ALogP 4.62, HBA 6, HBD 2, PSA 63.48, QED 0.5
Compound (SMILES): c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c(OCC2CC2)c1
InChIKey: PONROPLFVXZHNI-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2789.04 nM (pChEMBL 5.550000190734863)
Descriptors: MW 425.54, ALogP 4.62, HBA 6, HBD 2, PSA 63.48, QED 0.47
Compound (SMILES): Cc1ccc(OCC(C)C)c(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1
InChIKey: QNZRJUZWBKOTBB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 3084.02 nM (pChEMBL 5.510000228881836)
Descriptors: MW 441.58, ALogP 5.17, HBA 6, HBD 2, PSA 63.48, QED 0.43
Compound (SMILES): CCCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: JPRWWTRRZCSZEI-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1047.75 nM (pChEMBL 5.980000019073486)
Descriptors: MW 447.97, ALogP 5.27, HBA 6, HBD 2, PSA 63.48, QED 0.42
Compound (SMILES): CCCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12
InChIKey: DSXZRXGQDUOYMH-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 365.41 nM (pChEMBL 6.440000057220459)
Descriptors: MW 533.08, ALogP 5.07, HBA 7, HBD 1, PSA 75, QED 0.34
Compound (SMILES): CCOc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: LJMAHFPNAVYSNS-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1228.96 nM (pChEMBL 5.909999847412109)
Descriptors: MW 433.94, ALogP 4.88, HBA 6, HBD 2, PSA 63.48, QED 0.47
Compound (SMILES): COc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12
InChIKey: LZAYSDOGTITUHB-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 470.58, ALogP 3.64, HBA 7, HBD 1, PSA 75, QED 0.46
Compound (SMILES): COc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nc12
InChIKey: GVZKXIQSWFRPKS-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 189.05 nM (pChEMBL 6.71999979019165)
Descriptors: MW 491.62, ALogP 3.59, HBA 8, HBD 1, PSA 88.83, QED 0.42
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12
InChIKey: WCSBGNBUVBTZDJ-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1999 nM (pChEMBL 5.699999809265137)
Descriptors: MW 538.57, ALogP 4.66, HBA 7, HBD 1, PSA 75, QED 0.39
Compound (SMILES): CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: ITQVXJFHZCTPBM-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1114.57 nM (pChEMBL 5.949999809265137)
Descriptors: MW 467.5, ALogP 5.25, HBA 6, HBD 2, PSA 63.48, QED 0.42
Compound (SMILES): CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nc12
InChIKey: ICGXSNLREWIACC-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2999 nM (pChEMBL 5.519999980926514)
Descriptors: MW 573.64, ALogP 5, HBA 8, HBD 1, PSA 88.83, QED 0.32
Compound (SMILES): CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12
InChIKey: FWQZNEMAOKLNKT-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 223.03 nM (pChEMBL 6.650000095367432)
Descriptors: MW 552.6, ALogP 5.05, HBA 7, HBD 1, PSA 75, QED 0.35
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nc12
InChIKey: DDGZNCGMLQETFX-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 133.14 nM (pChEMBL 6.880000114440918)
Descriptors: MW 559.61, ALogP 4.61, HBA 8, HBD 1, PSA 88.83, QED 0.35
Compound (SMILES): COc1ccc(F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12
InChIKey: BHORRHKXIFYQMT-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 690.79 nM (pChEMBL 6.159999847412109)
Descriptors: MW 488.57, ALogP 3.78, HBA 7, HBD 1, PSA 75, QED 0.45
Compound (SMILES): COc1cc(F)ccc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12
InChIKey: JQCNRNHWLISHOR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 292.28 nM (pChEMBL 6.53000020980835)
Descriptors: MW 488.57, ALogP 3.78, HBA 7, HBD 1, PSA 75, QED 0.45
Compound (SMILES): COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12
InChIKey: DETXVHJTMOFKKV-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1999 nM (pChEMBL 5.699999809265137)
Descriptors: MW 505.02, ALogP 4.29, HBA 7, HBD 1, PSA 75, QED 0.42
Compound (SMILES): CC(C)Oc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12
InChIKey: GOWVPXNIYHDDAK-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 5499 nM (pChEMBL 5.260000228881836)
Descriptors: MW 566.63, ALogP 5.43, HBA 7, HBD 1, PSA 75, QED 0.32
Compound (SMILES): CN(C)C(=O)CN1CCC(c2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5OCC(F)F)cccn4n3)cc2)CC1
InChIKey: SKQPVXQMFIJNBQ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 524.3 nM (pChEMBL 6.28000020980835)
Descriptors: MW 602.61, ALogP 6.07, HBA 7, HBD 1, PSA 75, QED 0.23
Compound (SMILES): FC(F)COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: AWDBBSCWWQJPMJ-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 999 nM (pChEMBL 6)
Descriptors: MW 503.48, ALogP 5.49, HBA 6, HBD 2, PSA 63.48, QED 0.34
Compound (SMILES): CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1
InChIKey: DNPZJPXOXCQXPR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 316.51 nM (pChEMBL 6.5)
Descriptors: MW 588.58, ALogP 5.29, HBA 7, HBD 1, PSA 75, QED 0.28
Compound (SMILES): COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3)nc12
InChIKey: QNYSUBQXCIWNDI-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 104.39 nM (pChEMBL 6.980000019073486)
Descriptors: MW 519.05, ALogP 5.07, HBA 7, HBD 1, PSA 75, QED 0.37
Compound (SMILES): COc1cc(Cl)ccc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)C4)nc12
InChIKey: XEMUMTUWTNKTGR-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 6499 nM (pChEMBL 5.190000057220459)
Descriptors: MW 491, ALogP 4.25, HBA 7, HBD 1, PSA 75, QED 0.44
Compound (SMILES): COc1cc(Cl)ccc1-c1cccn2nc(Nc3cccc(C4CCN(CC(=O)N(C)C)CC4)c3)nc12
InChIKey: HIGPCIBOAQMQMH-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1999 nM (pChEMBL 5.699999809265137)
Descriptors: MW 519.05, ALogP 5.07, HBA 7, HBD 1, PSA 75, QED 0.37
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc12
InChIKey: VWYBVXLPBYHDNT-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 567.61, ALogP 7.28, HBA 7, HBD 1, PSA 80.99, QED 0.27
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12
InChIKey: WHBQVYIXULCPKI-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 79.87 nM (pChEMBL 7.099999904632568)
Descriptors: MW 467.5, ALogP 5.63, HBA 6, HBD 2, PSA 63.48, QED 0.4
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3)nc12
InChIKey: GZWAVMOEACERMF-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 999 nM (pChEMBL 6)
Descriptors: MW 552.6, ALogP 5.43, HBA 7, HBD 1, PSA 75, QED 0.33
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)nc12
InChIKey: GSIBEPJUQJPSHN-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1148.54 nM (pChEMBL 5.940000057220459)
Descriptors: MW 539.56, ALogP 6.46, HBA 7, HBD 1, PSA 80.99, QED 0.32
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNC4)nc12
InChIKey: UBKZBHKUADPBKN-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 674.98 nM (pChEMBL 6.170000076293945)
Descriptors: MW 439.44, ALogP 4.81, HBA 6, HBD 2, PSA 63.48, QED 0.48
Compound (SMILES): COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)C4)nc12
InChIKey: XAHWLEPPFDNHNZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 41.4 nM (pChEMBL 7.380000114440918)
Descriptors: MW 524.55, ALogP 4.61, HBA 7, HBD 1, PSA 75, QED 0.4
Compound (SMILES): COc1cc(C(F)F)ccc1-c1cccn2nc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc12
InChIKey: PKTAKMKJFZJYNP-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2999 nM (pChEMBL 5.519999980926514)
Descriptors: MW 549.62, ALogP 7.2, HBA 7, HBD 1, PSA 80.99, QED 0.27
Compound (SMILES): COc1cc(C(F)F)ccc1-c1cccn2nc(Nc3ccc(C4CCNCC4)cc3)nc12
InChIKey: RRWVYIHUQNHZRJ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 201.78 nM (pChEMBL 6.699999809265137)
Descriptors: MW 449.51, ALogP 5.55, HBA 6, HBD 2, PSA 63.48, QED 0.4
Compound (SMILES): COc1cc(C(F)F)ccc1-c1cccn2nc(Nc3ccc(C4CCN(CC(=O)N(C)C)CC4)cc3)nc12
InChIKey: VTZQFUIZPLDNRA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 91.06 nM (pChEMBL 7.039999961853027)
Descriptors: MW 534.61, ALogP 5.35, HBA 7, HBD 1, PSA 75, QED 0.33
Compound (SMILES): CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3nc4c(-c5ccc(F)cc5)cccn4n3)cc2)CC1
InChIKey: WKJXZDXXNZPTBN-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 360.56 nM (pChEMBL 6.440000057220459)
Descriptors: MW 487.58, ALogP 6.39, HBA 6, HBD 1, PSA 71.76, QED 0.36
Compound (SMILES): Fc1ccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)cc1
InChIKey: KLPNHFCNIODBPN-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 8.12 nM (pChEMBL 8.09000015258789)
Descriptors: MW 387.46, ALogP 4.75, HBA 5, HBD 2, PSA 54.25, QED 0.53
Compound (SMILES): COc1cccc(-c2cccn3nc(Nc4ccc5c(c4)CNC5)nc23)c1
InChIKey: IICBGMWCBQZMKR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 6.63 nM (pChEMBL 8.180000305175781)
Descriptors: MW 357.42, ALogP 3.75, HBA 6, HBD 2, PSA 63.48, QED 0.58
Compound (SMILES): CN(C)C(=O)CN1CCC(c2ccc(Nc3nc4c(-c5ccc(F)cc5)cccn4n3)cc2)CC1
InChIKey: RKNVMCBHSBXGHY-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 10.36 nM (pChEMBL 7.989999771118164)
Descriptors: MW 472.57, ALogP 4.55, HBA 6, HBD 1, PSA 65.77, QED 0.45
Compound (SMILES): COc1cccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)c1
InChIKey: YCLQARKYPSNTHA-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 999 nM (pChEMBL 6)
Descriptors: MW 399.5, ALogP 4.62, HBA 6, HBD 2, PSA 63.48, QED 0.51
Compound (SMILES): COc1cccc(-c2cccn3nc(Nc4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4)nc23)c1
InChIKey: RXUNRNOYWJETLW-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 999 nM (pChEMBL 6)
Descriptors: MW 484.6, ALogP 4.42, HBA 7, HBD 1, PSA 75, QED 0.42
Compound (SMILES): COc1cccc(-c2cccn3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc23)c1F
InChIKey: ZIWOSNDVXLJONX-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 517.61, ALogP 6.4, HBA 7, HBD 1, PSA 80.99, QED 0.33
Compound (SMILES): COc1cccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)c1F
InChIKey: HFULRTYGWHQPGS-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 30.45 nM (pChEMBL 7.519999980926514)
Descriptors: MW 417.49, ALogP 4.75, HBA 6, HBD 2, PSA 63.48, QED 0.49
Compound (SMILES): COc1cccc(-c2cccn3nc(Nc4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4)nc23)c1F
InChIKey: LTYFMRWWVMIIDH-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 96.1 nM (pChEMBL 7.019999980926514)
Descriptors: MW 502.59, ALogP 4.56, HBA 7, HBD 1, PSA 75, QED 0.4
Compound (SMILES): COc1cccc(-c2cccn3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc23)c1OC
InChIKey: LMUJITSXAFFOEX-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1105.66 nM (pChEMBL 5.960000038146973)
Descriptors: MW 529.64, ALogP 6.27, HBA 8, HBD 1, PSA 90.22, QED 0.31
Compound (SMILES): COc1cccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)c1OC
InChIKey: MPUWGCXLJZFPQX-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 184.67 nM (pChEMBL 6.730000019073486)
Descriptors: MW 429.52, ALogP 4.62, HBA 7, HBD 2, PSA 72.71, QED 0.47
Compound (SMILES): COc1cccc(-c2cccn3nc(Nc4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4)nc23)c1OC
InChIKey: DZUZGGJWSCEUDT-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1606.68 nM (pChEMBL 5.789999961853027)
Descriptors: MW 514.63, ALogP 4.42, HBA 8, HBD 1, PSA 84.23, QED 0.37
Compound (SMILES): CC(C)(C)OC(=O)N1CCC(c2ccc(Nc3nc4c(-c5ccc(C#N)cc5)cccn4n3)cc2)CC1
InChIKey: PTKAKJKMMRUBPS-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 61.59 nM (pChEMBL 7.210000038146973)
Descriptors: MW 494.6, ALogP 6.13, HBA 7, HBD 1, PSA 95.55, QED 0.37
Compound (SMILES): N#Cc1ccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)cc1
InChIKey: KCYMZNBKXROIAW-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 5.81 nM (pChEMBL 8.239999771118164)
Descriptors: MW 394.48, ALogP 4.48, HBA 6, HBD 2, PSA 78.04, QED 0.53
Compound (SMILES): CN(C)C(=O)CN1CCC(c2ccc(Nc3nc4c(-c5ccc(C#N)cc5)cccn4n3)cc2)CC1
InChIKey: FEQCVTGGVBOWBO-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 3.88 nM (pChEMBL 8.40999984741211)
Descriptors: MW 479.59, ALogP 4.28, HBA 7, HBD 1, PSA 89.56, QED 0.44
Compound (SMILES): COc1ccc(-c2cccn3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc23)c(F)c1
InChIKey: PABKCYGTDSPSML-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 999 nM (pChEMBL 6)
Descriptors: MW 517.61, ALogP 6.4, HBA 7, HBD 1, PSA 80.99, QED 0.33
Compound (SMILES): COc1ccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)c(F)c1
InChIKey: ROGLWHIIHRIBLU-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2999 nM (pChEMBL 5.519999980926514)
Descriptors: MW 417.49, ALogP 4.75, HBA 6, HBD 2, PSA 63.48, QED 0.49
Compound (SMILES): CN(C)c1cccc(-c2cccn3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc23)c1
InChIKey: SMDZYYXBZDSLKH-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 193.08 nM (pChEMBL 6.710000038146973)
Descriptors: MW 512.66, ALogP 6.32, HBA 7, HBD 1, PSA 75, QED 0.34
Compound (SMILES): COc1ccc(-c2cccn3nc(Nc4ccc(C5CCN(CC(=O)N(C)C)CC5)cc4)nc23)c(F)c1
InChIKey: OMJRJJUYVFIFHZ-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2999 nM (pChEMBL 5.519999980926514)
Descriptors: MW 502.59, ALogP 4.56, HBA 7, HBD 1, PSA 75, QED 0.4
Compound (SMILES): CN(C)c1cccc(-c2cccn3nc(Nc4ccc(C5CCNCC5)cc4)nc23)c1
InChIKey: BSMZBNXVISRDIE-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 3.93 nM (pChEMBL 8.40999984741211)
Descriptors: MW 412.54, ALogP 4.67, HBA 6, HBD 2, PSA 57.49, QED 0.5
Compound (SMILES): CN(C)C(=O)CN1CCC(c2ccc(Nc3nc4c(-c5cccc(N(C)C)c5)cccn4n3)cc2)CC1
InChIKey: YGCBKXMSJGVSNG-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 4.99 nM (pChEMBL 8.300000190734863)
Descriptors: MW 497.65, ALogP 4.47, HBA 7, HBD 1, PSA 69.01, QED 0.41
Compound (SMILES): FC(F)COc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: UADYJUZZUPEKTR-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1905.36 nM (pChEMBL 5.71999979019165)
Descriptors: MW 435.48, ALogP 4.47, HBA 6, HBD 2, PSA 63.48, QED 0.47
Compound (SMILES): CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5ccccc5OCC(F)F)cccn4n3)cc2CC1
InChIKey: LHEMKQCKNIDFCO-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 196.66 nM (pChEMBL 6.710000038146973)
Descriptors: MW 520.58, ALogP 4.27, HBA 7, HBD 1, PSA 75, QED 0.37
Compound (SMILES): CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c(OCC(F)F)c1
InChIKey: RJHRDUJEFJMNON-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 999 nM (pChEMBL 6)
Descriptors: MW 513.57, ALogP 3.88, HBA 8, HBD 2, PSA 97.62, QED 0.39
Compound (SMILES): CS(=O)(=O)c1ccc(OCC(F)F)c(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1
InChIKey: VFYFRYGIEUZKIF-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 513.57, ALogP 3.88, HBA 8, HBD 2, PSA 97.62, QED 0.39
Compound (SMILES): CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5cc(S(C)(=O)=O)ccc5OCC(F)F)cccn4n3)cc2CC1
InChIKey: OAXBDXIWFBGMPC-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 504.69 nM (pChEMBL 6.300000190734863)
Descriptors: MW 598.68, ALogP 3.68, HBA 9, HBD 1, PSA 109.14, QED 0.31
Compound (SMILES): FC(F)(F)c1cccc(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1
InChIKey: VAWUUPYJGSJFQH-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 42.52 nM (pChEMBL 7.369999885559082)
Descriptors: MW 423.44, ALogP 4.85, HBA 5, HBD 2, PSA 54.25, QED 0.49
Compound (SMILES): FC(F)COc1ccc(Cl)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: KCEGSSBRMIEVJT-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 442.65 nM (pChEMBL 6.349999904632568)
Descriptors: MW 469.92, ALogP 5.13, HBA 6, HBD 2, PSA 63.48, QED 0.41
Compound (SMILES): CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5cc(F)ccc5OCC(F)F)cccn4n3)cc2CC1
InChIKey: URVSLNBYVORMOC-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 519.79 nM (pChEMBL 6.28000020980835)
Descriptors: MW 538.57, ALogP 4.41, HBA 7, HBD 1, PSA 75, QED 0.36
Compound (SMILES): CC(C)COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: HVRHJZQNZYPMQW-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1078.21 nM (pChEMBL 5.96999979019165)
Descriptors: MW 495.55, ALogP 5.88, HBA 6, HBD 2, PSA 63.48, QED 0.35
Compound (SMILES): CC(C)COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12
InChIKey: SSSVXQMBQCBGKP-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2999 nM (pChEMBL 5.519999980926514)
Descriptors: MW 580.66, ALogP 5.68, HBA 7, HBD 1, PSA 75, QED 0.29
Compound (SMILES): CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5cc(Cl)ccc5OCC(F)F)cccn4n3)cc2CC1
InChIKey: LEIBZNRWKCLSOA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 115.82 nM (pChEMBL 6.940000057220459)
Descriptors: MW 555.03, ALogP 4.93, HBA 7, HBD 1, PSA 75, QED 0.33
Compound (SMILES): CN(C)C(=O)N1CCc2ccc(Nc3nc4c(-c5cc(Cl)ccc5OCC(F)F)cccn4n3)cc2CC1
InChIKey: SGFPNJGBNWEILO-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 198.22 nM (pChEMBL 6.699999809265137)
Descriptors: MW 541, ALogP 5.52, HBA 6, HBD 1, PSA 75, QED 0.35
Compound (SMILES): FC(F)COc1ccc(C(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12
InChIKey: DIQPZHMXFMTNEG-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 485.49, ALogP 5.41, HBA 6, HBD 2, PSA 63.48, QED 0.34
Compound (SMILES): CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5cc(C(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1
InChIKey: HNOXCOFDLMQHTF-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1120.97 nM (pChEMBL 5.949999809265137)
Descriptors: MW 570.59, ALogP 5.21, HBA 7, HBD 1, PSA 75, QED 0.28
Compound (SMILES): CN1CCN(c2cncc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)n2)CC1
InChIKey: DHBHYZCNWGHILU-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 464.56, ALogP 2.09, HBA 10, HBD 1, PSA 108.62, QED 0.47
Compound (SMILES): COc1ccccc1CNc1cccn2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc12
InChIKey: IVIRENTUOCBACV-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 12.26 nM (pChEMBL 7.909999847412109)
Descriptors: MW 443.56, ALogP 3.85, HBA 8, HBD 2, PSA 69.96, QED 0.45
Compound (SMILES): COc1ccccc1CNc1cccn2nc(Nc3cccc(N4CCN(C)CC4)c3)nc12
InChIKey: DHEIXKMEIJGYCU-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 951.19 nM (pChEMBL 6.019999980926514)
Descriptors: MW 443.56, ALogP 3.85, HBA 8, HBD 2, PSA 69.96, QED 0.45
Compound (SMILES): CN1CCN(c2cncc(Nc3nc4c(NCc5ccccc5N(C)S(C)(=O)=O)cccn4n3)n2)CC1
InChIKey: JXFRAOQGCSZNRQ-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 1058.8 nM (pChEMBL 5.96999979019165)
Descriptors: MW 522.64, ALogP 2.02, HBA 11, HBD 2, PSA 123.89, QED 0.36
Compound (SMILES): COc1cccc(CNc2cccn3nc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)c1
InChIKey: CBEKEXXVPGYQOI-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 443.56, ALogP 3.85, HBA 8, HBD 2, PSA 69.96, QED 0.45
Compound (SMILES): COc1ccc(CNc2cccn3nc(Nc4ccc(N5CCN(C)CC5)cc4)nc23)cc1
InChIKey: UXVQXUTVJBZQLM-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 3021.96 nM (pChEMBL 5.519999980926514)
Descriptors: MW 443.56, ALogP 3.85, HBA 8, HBD 2, PSA 69.96, QED 0.45
Compound (SMILES): COc1cccc(CNc2cccn3nc(Nc4cccc(N5CCN(C)CC5)c4)nc23)c1
InChIKey: KGHKUZHWSJNHSC-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 2999 nM (pChEMBL 5.519999980926514)
Descriptors: MW 443.56, ALogP 3.85, HBA 8, HBD 2, PSA 69.96, QED 0.45
Compound (SMILES): COc1ccc(CNc2cccn3nc(Nc4cccc(N5CCN(C)CC5)c4)nc23)cc1
InChIKey: CHULUPKKXISZAM-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 443.56, ALogP 3.85, HBA 8, HBD 2, PSA 69.96, QED 0.45
Compound (SMILES): COc1cccc(CNc2cccn3nc(Nc4ccc(OC)nc4)nc23)c1
InChIKey: UZIMONQAZGTUAD-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) assay system.
Measurement: IC50 = 9999 nM (pChEMBL 5)
Descriptors: MW 376.42, ALogP 3.5, HBA 8, HBD 2, PSA 85.6, QED 0.51