lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc4cccc(-c5ccc(S(C)(=O)=O)cc5)n4n3)cc2)CC1
InChIKey: XMSZNTZGAJYKLL-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 = 50.2 nM (pChEMBL 7.300000190734863)
Descriptors: MW 548.67, ALogP 4.6, HBA 9, HBD 1, PSA 109.14, QED 0.39
Compound (SMILES): c1ccc(-c2cccc3nc(Nc4ccc(OCCN5CCCC5)cc4)nn23)cc1
InChIKey: KWKYSGDVPIKQIQ-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 399.5, ALogP 4.61, HBA 6, HBD 1, PSA 54.69, QED 0.49
Compound (SMILES): CC(C)(C)OC(=O)N1CCN(c2ccc(Nc3nc4cccc(-c5ccccc5)n4n3)cc2)CC1
InChIKey: BVGRBDZHUQYKLB-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 = 6.6 nM (pChEMBL 8.180000305175781)
Descriptors: MW 470.58, ALogP 5.2, HBA 7, HBD 1, PSA 75, QED 0.44
Compound (SMILES): CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)nn23)c1
InChIKey: YRCDOYLNWDMYBP-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 = 3.2 nM (pChEMBL 8.489999771118164)
Descriptors: MW 449.54, ALogP 3.38, HBA 8, HBD 1, PSA 88.83, QED 0.5
Compound (SMILES): COc1cccc(Nc2nc3cccc(-c4cccc(S(C)(=O)=O)c4)n3n2)c1
InChIKey: PJNQAQRZBKKTCX-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 = 197 nM (pChEMBL 6.710000038146973)
Descriptors: MW 394.46, ALogP 3.55, HBA 7, HBD 1, PSA 85.59, QED 0.56
Compound (SMILES): COc1ccccc1Nc1nc2cccc(-c3cccc(S(C)(=O)=O)c3)n2n1
InChIKey: UJKJDXKNNVFSBL-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 394.46, ALogP 3.55, HBA 7, HBD 1, PSA 85.59, QED 0.56
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4cccc(-c5cccc(NS(C)(=O)=O)c5)n4n3)cc2)CC1
InChIKey: SBNWWPRUBFAKRO-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 = 497.5 nM (pChEMBL 6.300000190734863)
Descriptors: MW 477.59, ALogP 3.26, HBA 8, HBD 2, PSA 94.87, QED 0.44
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4cccc(-c5ccc(NS(C)(=O)=O)cc5)n4n3)cc2)CC1
InChIKey: IEBAAPQETUULGZ-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 = 2284.1 nM (pChEMBL 5.639999866485596)
Descriptors: MW 477.59, ALogP 3.26, HBA 8, HBD 2, PSA 94.87, QED 0.44
Compound (SMILES): CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(CN5CCOCC5)cc4)nn23)cc1
InChIKey: XCJNPYULTYFKFW-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 = 173 nM (pChEMBL 6.760000228881836)
Descriptors: MW 463.56, ALogP 3.38, HBA 8, HBD 1, PSA 88.83, QED 0.47
Compound (SMILES): CN1CCN(Cc2ccc(Nc3nc4cccc(-c5ccc(S(C)(=O)=O)cc5)n4n3)cc2)CC1
InChIKey: YMEIWXZVPITMOT-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 = 1.7 nM (pChEMBL 8.770000457763672)
Descriptors: MW 476.61, ALogP 3.29, HBA 8, HBD 1, PSA 82.84, QED 0.46
Compound (SMILES): CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(CN5CCOCC5)cc4)nn23)c1
InChIKey: AEFOERYLVMYANT-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 = 4.9 nM (pChEMBL 8.3100004196167)
Descriptors: MW 463.56, ALogP 3.38, HBA 8, HBD 1, PSA 88.83, QED 0.47
Compound (SMILES): CN1CCN(Cc2ccc(Nc3nc4cccc(-c5cccc(S(C)(=O)=O)c5)n4n3)cc2)CC1
InChIKey: HWLMPNHBWGLNCU-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 = 1031.3 nM (pChEMBL 5.989999771118164)
Descriptors: MW 476.61, ALogP 3.29, HBA 8, HBD 1, PSA 82.84, QED 0.46
Compound (SMILES): CN1CCN(c2ccc(NC(=O)Nc3nc4cccc(-c5cccc(S(C)(=O)=O)c5)n4n3)cc2)CC1
InChIKey: KAQVDPFKHLJNQO-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 = 229.5 nM (pChEMBL 6.639999866485596)
Descriptors: MW 505.6, ALogP 3.2, HBA 8, HBD 2, PSA 111.94, QED 0.43
Compound (SMILES): CN1CCN(c2ccc(NC(=O)Nc3nc4cccc(-c5ccc(S(C)(=O)=O)cc5)n4n3)cc2)CC1
InChIKey: MIJHXEBQHOJJFL-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 = 1531.9 nM (pChEMBL 5.820000171661377)
Descriptors: MW 505.6, ALogP 3.2, HBA 8, HBD 2, PSA 111.94, QED 0.43
Compound (SMILES): COc1ccc(Nc2nc3cccc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1
InChIKey: XUBGXENPBVRWAS-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 = 1.9 nM (pChEMBL 8.720000267028809)
Descriptors: MW 394.46, ALogP 3.55, HBA 7, HBD 1, PSA 85.59, QED 0.56
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4cccc(-c5ccc(S(C)(=O)=O)cc5)n4n3)c2)CC1
InChIKey: UCDSBQMKYFSIIX-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 = 1268.1 nM (pChEMBL 5.900000095367432)
Descriptors: MW 462.58, ALogP 3.3, HBA 8, HBD 1, PSA 82.84, QED 0.49
Compound (SMILES): CS(=O)(=O)c1ccc(Nc2nc3cccc(-c4ccc(S(C)(=O)=O)cc4)n3n2)cc1
InChIKey: HSFOWOLIJOQLCU-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 = 531.5 nM (pChEMBL 6.269999980926514)
Descriptors: MW 442.52, ALogP 2.95, HBA 8, HBD 1, PSA 110.5, QED 0.51
Compound (SMILES): CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4cccc(S(C)(=O)=O)c4)nn23)cc1
InChIKey: ODDLHEONBQLYGR-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 = 9.3 nM (pChEMBL 8.029999732971191)
Descriptors: MW 442.52, ALogP 2.95, HBA 8, HBD 1, PSA 110.5, QED 0.51
Compound (SMILES): COc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1
InChIKey: GNYIGMZJKXOFTL-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 = 25.3 nM (pChEMBL 7.599999904632568)
Descriptors: MW 463.56, ALogP 3.38, HBA 8, HBD 1, PSA 88.83, QED 0.47
Compound (SMILES): CN1CCN(c2nc3c(NCc4cccc([N+](=O)[O-])c4)cccn3n2)CC1
InChIKey: KFHQPLOVSBYCRN-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 367.41, ALogP 2, HBA 8, HBD 1, PSA 91.84, QED 0.54
Compound (SMILES): O=[N+]([O-])c1cccc(CNc2cccn3nc(N4CCOCC4)nc23)c1
InChIKey: JUPYENMCTBWLBT-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 354.37, ALogP 2.09, HBA 8, HBD 1, PSA 97.83, QED 0.55
Compound (SMILES): NC1CCN(c2nc3c(NCc4cccnc4)cccn3n2)CC1
InChIKey: WBJMCPJUKZEMTH-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 323.4, ALogP 1.66, HBA 7, HBD 2, PSA 84.37, QED 0.76
Compound (SMILES): c1cncc(CNc2cccn3nc(NCCN4CCOCC4)nc23)c1
InChIKey: NFHZZZIHNYDXTD-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 353.43, ALogP 1.48, HBA 8, HBD 2, PSA 79.61, QED 0.67
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)c2)CC1
InChIKey: VQEDQSYDHUDMQM-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 530.58, ALogP 4.31, HBA 8, HBD 1, PSA 82.84, QED 0.41
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)cc2)CC1
InChIKey: ODYFWUZVFJUGQF-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 530.58, ALogP 4.31, HBA 8, HBD 1, PSA 82.84, QED 0.41
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(C(F)(F)F)cn4n3)cn2)CC1
InChIKey: JDMBOHIMNYUIJK-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 = 3440.6 nM (pChEMBL 5.460000038146973)
Descriptors: MW 531.56, ALogP 3.71, HBA 9, HBD 1, PSA 95.73, QED 0.42
Compound (SMILES): CN1CCN(c2cccc(N(c3cccc(N4CCN(C)CC4)c3)c3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(F)cn4n3)c2)CC1
InChIKey: JTPYGGJDTQRWES-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 = 1053 nM (pChEMBL 5.980000019073486)
Descriptors: MW 654.82, ALogP 4.91, HBA 10, HBD 0, PSA 80.53, QED 0.24
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cc(F)cn4n3)cc2)CC1
InChIKey: MOJNSEOJGNBVDQ-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 480.57, ALogP 3.43, HBA 8, HBD 1, PSA 82.84, QED 0.47
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4cncc(-c5ccc(S(C)(=O)=O)cc5)n4n3)c2)CC1
InChIKey: XNUMRPLPPUXQNR-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 = 307.1 nM (pChEMBL 6.510000228881836)
Descriptors: MW 463.57, ALogP 2.69, HBA 9, HBD 1, PSA 95.73, QED 0.48
Compound (SMILES): CN1CCN(c2cncc(Nc3nc4cncc(-c5ccc(S(C)(=O)=O)cc5)n4n3)c2)CC1
InChIKey: LMSIDVBREKSBSI-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 464.56, ALogP 2.09, HBA 10, HBD 1, PSA 108.62, QED 0.47
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(Nc5cccc(S(C)(=O)=O)c5)cccn4n3)cc2)CC1
InChIKey: GMDMRUAQMKSFHI-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 = 3049.69 nM (pChEMBL 5.519999980926514)
Descriptors: MW 477.59, ALogP 3.37, HBA 9, HBD 2, PSA 94.87, QED 0.44
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(Nc5cccc(S(C)(=O)=O)c5)cccn4n3)c2)CC1
InChIKey: XWRTVOYGMLBXKZ-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 = 8249 nM (pChEMBL 5.079999923706055)
Descriptors: MW 477.59, ALogP 3.37, HBA 9, HBD 2, PSA 94.87, QED 0.44
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(Nc5cccnc5N(C)S(C)(=O)=O)cccn4n3)c2)CC1
InChIKey: IOMQBBFVPYXWBH-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 = 60.26 nM (pChEMBL 7.21999979019165)
Descriptors: MW 507.62, ALogP 2.76, HBA 10, HBD 2, PSA 111, QED 0.39
Compound (SMILES): CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(CN5CCS(=O)(=O)CC5)cc4)nc23)cc1
InChIKey: VUPOSILMRHPRKX-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 = 30.27 nM (pChEMBL 7.519999980926514)
Descriptors: MW 511.63, ALogP 2.77, HBA 9, HBD 1, PSA 113.74, QED 0.42
Compound (SMILES): CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(CN5CCS(=O)(=O)CC5)cc4)nn23)cc1
InChIKey: CBZXUOJTAGQOFC-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 = 0.66 nM (pChEMBL 9.180000305175781)
Descriptors: MW 511.63, ALogP 2.77, HBA 9, HBD 1, PSA 113.74, QED 0.42
Compound (SMILES): CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4cccc(CN5CCOCC5)c4)nn23)cc1
InChIKey: CDBJZWXBFUHJLY-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 = 1468.32 nM (pChEMBL 5.829999923706055)
Descriptors: MW 463.56, ALogP 3.38, HBA 8, HBD 1, PSA 88.83, QED 0.47
Compound (SMILES): CN1CCN(Cc2cccc(Nc3nc4cccc(-c5ccc(S(C)(=O)=O)cc5)n4n3)c2)CC1
InChIKey: QURPWASUUXHJBF-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 = 2862.98 nM (pChEMBL 5.539999961853027)
Descriptors: MW 476.61, ALogP 3.29, HBA 8, HBD 1, PSA 82.84, QED 0.46
Compound (SMILES): CN(c1ccc(-c2cccn3nc(Nc4ccc(CN5CCS(=O)(=O)CC5)cc4)nc23)cc1)S(C)(=O)=O
InChIKey: FOMSLMYHRMDFKJ-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 540.67, ALogP 2.77, HBA 9, HBD 1, PSA 116.98, QED 0.38
Compound (SMILES): CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4cccc(CN5CCS(=O)(=O)CC5)c4)nn23)cc1
InChIKey: VFRBZPIMVLVQNZ-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 511.63, ALogP 2.77, HBA 9, HBD 1, PSA 113.74, QED 0.42
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(NCc5cccnc5N(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: FPVJKXNDQIMNDH-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 = 29.99 nM (pChEMBL 7.519999980926514)
Descriptors: MW 521.65, ALogP 2.63, HBA 10, HBD 2, PSA 111, QED 0.36
Compound (SMILES): CN1CCC(c2ccc(Nc3nc4c(NCc5cccnc5N(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: HZNPQJTZWHIEFN-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 = 835.51 nM (pChEMBL 6.079999923706055)
Descriptors: MW 520.66, ALogP 3.69, HBA 9, HBD 2, PSA 107.76, QED 0.36
Compound (SMILES): CN(c1ncccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O
InChIKey: QSZOUSWVOCYWSS-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 = 59.73 nM (pChEMBL 7.21999979019165)
Descriptors: MW 536.66, ALogP 3.35, HBA 10, HBD 2, PSA 116.99, QED 0.3
Compound (SMILES): CN1CCC(c2ccc(Nc3nc4c(Nc5ccccc5S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: VNVMQTTUGXKRDW-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 = 140.87 nM (pChEMBL 6.849999904632568)
Descriptors: MW 476.61, ALogP 4.43, HBA 8, HBD 2, PSA 91.63, QED 0.43
Compound (SMILES): CS(=O)(=O)c1ccccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12
InChIKey: YVVVSDDXNQYXEB-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 = 14.35 nM (pChEMBL 7.840000152587891)
Descriptors: MW 492.61, ALogP 4.09, HBA 9, HBD 2, PSA 100.86, QED 0.36
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(-c5cccc(N(C)S(C)(=O)=O)c5)cccn4n3)cc2)CC1
InChIKey: OQDYWQDFZJQOLP-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 = 18.68 nM (pChEMBL 7.730000019073486)
Descriptors: MW 491.62, ALogP 3.29, HBA 8, HBD 1, PSA 86.08, QED 0.44
Compound (SMILES): CN(c1cccc(-c2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)c1)S(C)(=O)=O
InChIKey: GEPFJQQETZSXKG-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 = 33.95 nM (pChEMBL 7.46999979019165)
Descriptors: MW 506.63, ALogP 4.01, HBA 8, HBD 1, PSA 92.07, QED 0.37
Compound (SMILES): CN1CCC(c2cccc(Nc3nc4c(-c5cccc(N(C)S(C)(=O)=O)c5)cccn4n3)c2)CC1
InChIKey: WDBHENZTEUAYHU-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 = 8.88 nM (pChEMBL 8.050000190734863)
Descriptors: MW 490.63, ALogP 4.34, HBA 7, HBD 1, PSA 82.84, QED 0.43
Compound (SMILES): CN1CCC(c2cccc(Nc3nc4c(-c5ccccc5N(C)S(C)(=O)=O)cccn4n3)c2)CC1
InChIKey: CBQDGARLNBXVRC-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 490.63, ALogP 4.34, HBA 7, HBD 1, PSA 82.84, QED 0.43
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(Nc5cccnc5N(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: MZPCTYNOURQWSN-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 = 78.92 nM (pChEMBL 7.099999904632568)
Descriptors: MW 507.62, ALogP 2.76, HBA 10, HBD 2, PSA 111, QED 0.39
Compound (SMILES): CN(c1ncccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O
InChIKey: ZENIDAUAXBWJDQ-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 = 266.92 nM (pChEMBL 6.570000171661377)
Descriptors: MW 522.64, ALogP 3.48, HBA 10, HBD 2, PSA 116.99, QED 0.32
Compound (SMILES): CN1CCC(c2ccc(Nc3nc4c(Nc5cccnc5N(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: MDRNKAUMABPKPU-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 = 17.42 nM (pChEMBL 7.760000228881836)
Descriptors: MW 506.64, ALogP 3.82, HBA 9, HBD 2, PSA 107.76, QED 0.39
Compound (SMILES): CN(c1ncccc1CNc1cccn2nc(Nc3ccc(S(C)(=O)=O)cc3)nc12)S(C)(=O)=O
InChIKey: VBMFQCUNBFXLPF-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 = 17.32 nM (pChEMBL 7.760000228881836)
Descriptors: MW 501.59, ALogP 2.28, HBA 10, HBD 2, PSA 138.66, QED 0.37
Compound (SMILES): CN(c1ncccc1CNc1cccn2nc(Nc3cccc(S(C)(=O)=O)c3)nc12)S(C)(=O)=O
InChIKey: IIOMGDJIOCWANC-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 = 919.83 nM (pChEMBL 6.039999961853027)
Descriptors: MW 501.59, ALogP 2.28, HBA 10, HBD 2, PSA 138.66, QED 0.37
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(NCc5cccnc5N(C)S(C)(=O)=O)cccn4n3)c2)CC1
InChIKey: WGUPYSJTXMOQKK-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 = 646.76 nM (pChEMBL 6.190000057220459)
Descriptors: MW 521.65, ALogP 2.63, HBA 10, HBD 2, PSA 111, QED 0.36
Compound (SMILES): COc1cc(N2CCN(C)CC2)ccc1Nc1nc2c(NCc3cccnc3N(C)S(C)(=O)=O)cccn2n1
InChIKey: LLFGGQPZWNJFRT-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 551.68, ALogP 2.64, HBA 11, HBD 2, PSA 120.23, QED 0.32
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(NCc5ccccc5S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: AYXAOWCLFSVOFU-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 = 97.39 nM (pChEMBL 7.010000228881836)
Descriptors: MW 491.62, ALogP 3.24, HBA 9, HBD 2, PSA 94.87, QED 0.41
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(NCc5ccccc5S(C)(=O)=O)cccn4n3)c2)CC1
InChIKey: HJNUCQAIWCULOY-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 = 26.32 nM (pChEMBL 7.579999923706055)
Descriptors: MW 491.62, ALogP 3.24, HBA 9, HBD 2, PSA 94.87, QED 0.41
Compound (SMILES): CN1CCC(c2ccc(Nc3nc4c(NCc5ccccc5S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: NRMBCYARFYTQTI-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 = 123.79 nM (pChEMBL 6.909999847412109)
Descriptors: MW 490.63, ALogP 4.3, HBA 8, HBD 2, PSA 91.63, QED 0.4
Compound (SMILES): CS(=O)(=O)c1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12
InChIKey: NKBVOEJXKSYSME-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 = 193.78 nM (pChEMBL 6.710000038146973)
Descriptors: MW 506.63, ALogP 3.96, HBA 9, HBD 2, PSA 100.86, QED 0.33
Compound (SMILES): C[C@H](O)CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1
InChIKey: HUFMQXVFIMXNJK-IBGZPJMESA-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 = 0.75 nM (pChEMBL 9.119999885559082)
Descriptors: MW 506.63, ALogP 3.05, HBA 9, HBD 2, PSA 103.07, QED 0.39
Compound (SMILES): C[C@@H](O)CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1
InChIKey: HUFMQXVFIMXNJK-LJQANCHMSA-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 = 1986.16 nM (pChEMBL 5.699999809265137)
Descriptors: MW 506.63, ALogP 3.05, HBA 9, HBD 2, PSA 103.07, QED 0.39
Compound (SMILES): CC(C)(O)CN1CCN(c2cccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)c2)CC1
InChIKey: MTJGYWYWEIRNAC-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 = 2.61 nM (pChEMBL 8.579999923706055)
Descriptors: MW 520.66, ALogP 3.44, HBA 9, HBD 2, PSA 103.07, QED 0.38
Compound (SMILES): CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc5c(c4)CCC(N4CCOCC4)CC5)nc23)cc1
InChIKey: QHFHNVUOAPKMLZ-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 = 670.93 nM (pChEMBL 6.170000076293945)
Descriptors: MW 517.66, ALogP 4.12, HBA 8, HBD 1, PSA 88.83, QED 0.4
Compound (SMILES): CN1C(=O)Cc2cc(Nc3nc4c(NCc5cccnc5N(C)S(C)(=O)=O)cccn4n3)ccc21
InChIKey: MYTKOMPBIZWDKF-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 = 286.66 nM (pChEMBL 6.539999961853027)
Descriptors: MW 492.57, ALogP 2.39, HBA 9, HBD 2, PSA 124.83, QED 0.4
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(NCc5ccccc5N(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: FBNSWOGDILACLV-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 = 29.1 nM (pChEMBL 7.539999961853027)
Descriptors: MW 520.66, ALogP 3.23, HBA 9, HBD 2, PSA 98.11, QED 0.37
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(NCc5ccccc5N(C)S(C)(=O)=O)cccn4n3)c2)CC1
InChIKey: DDQHOFUNXAOJKD-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 = 66.38 nM (pChEMBL 7.179999828338623)
Descriptors: MW 520.66, ALogP 3.23, HBA 9, HBD 2, PSA 98.11, QED 0.37
Compound (SMILES): CN1CCC(c2ccc(Nc3nc4c(NCc5ccccc5N(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: YSCOHZQEVPHJEF-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 = 268.58 nM (pChEMBL 6.570000171661377)
Descriptors: MW 519.68, ALogP 4.29, HBA 8, HBD 2, PSA 94.87, QED 0.36
Compound (SMILES): CN(c1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O
InChIKey: QIFRBZLXSGROBT-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 = 43.74 nM (pChEMBL 7.360000133514404)
Descriptors: MW 535.67, ALogP 3.96, HBA 9, HBD 2, PSA 104.1, QED 0.3
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(NCc5cccnc5)cccn4n3)cc2)CC1
InChIKey: KNXMMHYPILRKOB-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 414.52, ALogP 3.23, HBA 8, HBD 2, PSA 73.62, QED 0.5
Compound (SMILES): CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CCN(CCO)CC5)c4)nc23)cc1
InChIKey: CGKOJXZSERSZFD-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 = 2.37 nM (pChEMBL 8.619999885559082)
Descriptors: MW 492.61, ALogP 2.66, HBA 9, HBD 2, PSA 103.07, QED 0.41
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(NCc5cccnc5)cccn4n3)c2)CC1
InChIKey: RMJDDGNSIYCSCQ-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 414.52, ALogP 3.23, HBA 8, HBD 2, PSA 73.62, QED 0.5
Compound (SMILES): c1cncc(CNc2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)c1
InChIKey: SCLQIPLFUSCOSM-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 = 570.68 nM (pChEMBL 6.239999771118164)
Descriptors: MW 429.53, ALogP 3.95, HBA 8, HBD 2, PSA 79.61, QED 0.42
Compound (SMILES): CN(c1ncccc1CNc1cccn2nc(Nc3ccc(N4CCN(CCO)CC4)cc3)nc12)S(C)(=O)=O
InChIKey: FZKJWZCLGVYYLN-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 = 406.91 nM (pChEMBL 6.389999866485596)
Descriptors: MW 551.68, ALogP 1.99, HBA 11, HBD 3, PSA 131.23, QED 0.27
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(NCc5ccccc5CN(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: YYRRPDZAOXPOAD-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 = 576.56 nM (pChEMBL 6.239999771118164)
Descriptors: MW 534.69, ALogP 3.23, HBA 9, HBD 2, PSA 98.11, QED 0.34
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(NCc5ccccc5CN(C)S(C)(=O)=O)cccn4n3)c2)CC1
InChIKey: BYGYBYAJUHLQRR-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 = 219.62 nM (pChEMBL 6.659999847412109)
Descriptors: MW 534.69, ALogP 3.23, HBA 9, HBD 2, PSA 98.11, QED 0.34
Compound (SMILES): CN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O
InChIKey: UTILGGVSXFQUPI-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 = 1782.92 nM (pChEMBL 5.75)
Descriptors: MW 549.7, ALogP 3.95, HBA 9, HBD 2, PSA 104.1, QED 0.27
Compound (SMILES): CN1CCC(c2ccc(Nc3nc4c(NCc5ccccc5CN(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: AFVFWHRSGJNOFX-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 = 537.99 nM (pChEMBL 6.269999980926514)
Descriptors: MW 533.7, ALogP 4.29, HBA 8, HBD 2, PSA 94.87, QED 0.33
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(NCc5cccc(S(C)(=O)=O)c5)cccn4n3)cc2)CC1
InChIKey: IQTQJDVGTXZLPL-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 491.62, ALogP 3.24, HBA 9, HBD 2, PSA 94.87, QED 0.41
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(NCc5cccc(S(C)(=O)=O)c5)cccn4n3)c2)CC1
InChIKey: NXKWLLWNIDYYOB-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 = 6499 nM (pChEMBL 5.190000057220459)
Descriptors: MW 491.62, ALogP 3.24, HBA 9, HBD 2, PSA 94.87, QED 0.41
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(NCC5CCN(C(=O)OC(C)(C)C)C5)cccn4n3)cc2)CC1
InChIKey: JAWKMUVRMBFRKE-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 = 98.01 nM (pChEMBL 7.010000228881836)
Descriptors: MW 506.66, ALogP 3.89, HBA 9, HBD 2, PSA 90.27, QED 0.52
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(Nc5ccccc5CS(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: NPWROWUKACYBAX-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 = 22.1 nM (pChEMBL 7.659999847412109)
Descriptors: MW 491.62, ALogP 3.51, HBA 9, HBD 2, PSA 94.87, QED 0.41
Compound (SMILES): CN1CCC(c2ccc(Nc3nc4c(Nc5ccccc5CS(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: JIEYQQOOQVCWKT-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 490.63, ALogP 4.57, HBA 8, HBD 2, PSA 91.63, QED 0.39
Compound (SMILES): CN1Cc2ccc(Nc3nc4c(NCc5cccnc5N(C)S(C)(=O)=O)cccn4n3)cc2C1
InChIKey: ZYQANMJWXRTHQW-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 = 306.37 nM (pChEMBL 6.510000228881836)
Descriptors: MW 478.58, ALogP 2.82, HBA 9, HBD 2, PSA 107.76, QED 0.42
Compound (SMILES): CN1Cc2ccc(Nc3nc4c(NCc5ccccc5N(C)S(C)(=O)=O)cccn4n3)cc2C1
InChIKey: BPBXDXBTPQWBBQ-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 = 17.76 nM (pChEMBL 7.75)
Descriptors: MW 477.59, ALogP 3.43, HBA 8, HBD 2, PSA 94.87, QED 0.42
Compound (SMILES): CN1Cc2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)cc2C1
InChIKey: XDNCIFYMMJWWTA-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 = 77.56 nM (pChEMBL 7.110000133514404)
Descriptors: MW 419.51, ALogP 3.49, HBA 7, HBD 1, PSA 79.6, QED 0.55
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(NCc5cccc(N(C)S(C)(=O)=O)c5)cccn4n3)cc2)CC1
InChIKey: CTYCHUJGUDUIAM-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 520.66, ALogP 3.23, HBA 9, HBD 2, PSA 98.11, QED 0.37
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(NCC5CCCN5S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: SOKIHLFCLQOZGZ-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 = 160.34 nM (pChEMBL 6.789999961853027)
Descriptors: MW 484.63, ALogP 2.06, HBA 9, HBD 2, PSA 98.11, QED 0.53
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(Nc5ccccc5CN(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: DUEHFNZJWLDLBA-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 = 70.8 nM (pChEMBL 7.150000095367432)
Descriptors: MW 520.66, ALogP 3.36, HBA 9, HBD 2, PSA 98.11, QED 0.37
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(Nc5ccccc5CN(C)S(C)(=O)=O)cccn4n3)c2)CC1
InChIKey: OCIVFVLUSMCSQC-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 = 453.17 nM (pChEMBL 6.340000152587891)
Descriptors: MW 520.66, ALogP 3.36, HBA 9, HBD 2, PSA 98.11, QED 0.37
Compound (SMILES): CN(Cc1ccccc1Nc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O
InChIKey: ITLQJJUECDTTJJ-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 = 1171.33 nM (pChEMBL 5.929999828338623)
Descriptors: MW 535.67, ALogP 4.08, HBA 9, HBD 2, PSA 104.1, QED 0.3
Compound (SMILES): CN1CCC(c2ccc(Nc3nc4c(Nc5ccccc5CN(C)S(C)(=O)=O)cccn4n3)cc2)CC1
InChIKey: PQMQIOLFJSAPGI-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 = 111.13 nM (pChEMBL 6.949999809265137)
Descriptors: MW 519.68, ALogP 4.42, HBA 8, HBD 2, PSA 94.87, QED 0.36
Compound (SMILES): CN1CCN(c2ccc(Nc3nc4c(-c5cccc(CN(C)S(C)(=O)=O)c5)cccn4n3)cc2)CC1
InChIKey: PRWKEOMWFRTULJ-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 505.65, ALogP 3.28, HBA 8, HBD 1, PSA 86.08, QED 0.41
Compound (SMILES): CN1CCN(c2cccc(Nc3nc4c(-c5cccc(CN(C)S(C)(=O)=O)c5)cccn4n3)c2)CC1
InChIKey: DKEWGUUKVYCSAF-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 = 5.94 nM (pChEMBL 8.229999542236328)
Descriptors: MW 505.65, ALogP 3.28, HBA 8, HBD 1, PSA 86.08, QED 0.41
Compound (SMILES): CN(Cc1cccc(-c2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)c1)S(C)(=O)=O
InChIKey: YCKHWUPMSDZLDQ-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 = 7.34 nM (pChEMBL 8.130000114440918)
Descriptors: MW 520.66, ALogP 4.01, HBA 8, HBD 1, PSA 92.07, QED 0.34