lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COCCN1CCC(c2cc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)c4c(-c5ccccc5)[nH]nc4n3)cc2C)CC1
InChIKey: IZMNYQZVCNPRRF-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 579 nM (pChEMBL 6.239999771118164)
Descriptors: MW 697.91, ALogP 7.61, HBA 10, HBD 3, PSA 134.36, QED 0.11
Compound (SMILES): CCc1[nH]nc2nc(Nc3cc(C)c(C4CCN(CCOC)CC4)cc3OC(C)C)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12
InChIKey: WHKITEXSDVHDKL-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 181 nM (pChEMBL 6.739999771118164)
Descriptors: MW 649.86, ALogP 6.51, HBA 10, HBD 3, PSA 134.36, QED 0.15
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(CCS(C)(=O)=O)CC1
InChIKey: TYZZCSXPSQTMNV-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 683.9, ALogP 5.65, HBA 11, HBD 3, PSA 159.27, QED 0.17
Compound (SMILES): COc1cc(C2CCN(C)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
InChIKey: XVAKMYLGYSJODB-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 563.73, ALogP 5.46, HBA 9, HBD 3, PSA 125.13, QED 0.26
Compound (SMILES): COc1cc(C2CCNCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
InChIKey: MTVITDZMXJRGLD-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 549.7, ALogP 5.11, HBA 9, HBD 4, PSA 133.92, QED 0.24
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(CCC(N)=O)CC1
InChIKey: AVRZUHVLJADOIN-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 648.83, ALogP 5.48, HBA 10, HBD 4, PSA 168.22, QED 0.15
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(CCC(=O)N2CCC2)CC1
InChIKey: WJHHYEBDSGQZME-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 21 nM (pChEMBL 7.679999828338623)
Descriptors: MW 688.9, ALogP 6.23, HBA 10, HBD 3, PSA 145.44, QED 0.16
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(CCC(=O)N(C)C)CC1
InChIKey: GHDOXUCSDPMHHG-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 15 nM (pChEMBL 7.820000171661377)
Descriptors: MW 676.89, ALogP 6.08, HBA 10, HBD 3, PSA 145.44, QED 0.16
Compound (SMILES): CNC(=O)CCN1CCC(c2cc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)c4c(C)[nH]nc4n3)cc2C)CC1
InChIKey: RJOCNHGBKJJYDV-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 662.86, ALogP 5.74, HBA 10, HBD 4, PSA 154.23, QED 0.15
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(C[C@@H](O)C(F)(F)F)CC1
InChIKey: KURNKEVLTNXFLU-MUUNZHRXSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 105 nM (pChEMBL 6.980000019073486)
Descriptors: MW 689.8, ALogP 6.53, HBA 10, HBD 4, PSA 145.36, QED 0.14
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(C[C@H](O)C(F)(F)F)CC1
InChIKey: KURNKEVLTNXFLU-NDEPHWFRSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 87 nM (pChEMBL 7.059999942779541)
Descriptors: MW 689.8, ALogP 6.53, HBA 10, HBD 4, PSA 145.36, QED 0.14
Compound (SMILES): Cc1[nH]nc2nc(Nc3ccc(C4CCNCC4)cc3)nc(Nc3ccccc3S(=O)(=O)C(C)C)c12
InChIKey: XKLOGYWLPCUNTE-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 17 nM (pChEMBL 7.769999980926514)
Descriptors: MW 505.65, ALogP 4.8, HBA 8, HBD 4, PSA 124.69, QED 0.28
Compound (SMILES): COc1cc(C2CCN(CCS(C)(=O)=O)CC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
InChIKey: NZIJCOVGFRWEHQ-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 655.85, ALogP 4.87, HBA 11, HBD 3, PSA 159.27, QED 0.2
Compound (SMILES): CCN1CCC(c2ccc(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)c4c(C)[nH]nc4n3)cc2)C1
InChIKey: FWJVMXXJENXGCP-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 519.68, ALogP 5.14, HBA 8, HBD 3, PSA 115.9, QED 0.29
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN([C@H]2CCS(=O)(=O)C2)CC1
InChIKey: KIMNJAINAKNBNF-VWLOTQADSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 19 nM (pChEMBL 7.71999979019165)
Descriptors: MW 695.91, ALogP 5.79, HBA 11, HBD 3, PSA 159.27, QED 0.18
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIKey: KIMNJAINAKNBNF-RUZDIDTESA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 695.91, ALogP 5.79, HBA 11, HBD 3, PSA 159.27, QED 0.18
Compound (SMILES): COc1cc(C2CCOCC2)c(C)cc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(C)[nH]nc2n1
InChIKey: ZYJURKFHDLZIIB-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 550.69, ALogP 5.54, HBA 9, HBD 3, PSA 131.12, QED 0.26
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(C(=O)CCN(C)C)CC1
InChIKey: DFICIQYIWYXVTA-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 676.89, ALogP 6.08, HBA 10, HBD 3, PSA 145.44, QED 0.16
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)[nH]nc3n2)c(OC(C)C)cc1C1CCN(C(=O)CCN2CCC2)CC1
InChIKey: XOUQYSUJDVBGIU-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 688.9, ALogP 6.23, HBA 10, HBD 3, PSA 145.44, QED 0.16
Compound (SMILES): CCS(=O)(=O)N1CCC(c2cc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)c4c(C)[nH]nc4n3)cc2C)CC1
InChIKey: KKSGWMQOPYAIOW-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 92 nM (pChEMBL 7.039999961853027)
Descriptors: MW 669.87, ALogP 5.96, HBA 10, HBD 3, PSA 159.27, QED 0.17
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)c[nH]c3n2)c(OC(C)C)cc1C1CCNCC1
InChIKey: VUGDJGIVLPQEJZ-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 155 nM (pChEMBL 6.809999942779541)
Descriptors: MW 576.77, ALogP 6.5, HBA 8, HBD 4, PSA 121.03, QED 0.18
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)c[nH]c3n2)c(OC(C)C)cc1C1CCN(CC(N)=O)CC1
InChIKey: COTWOUOELPAMBR-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 633.82, ALogP 5.7, HBA 9, HBD 4, PSA 155.33, QED 0.16
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)c[nH]c3n2)c(OC(C)C)cc1C1CCN(C)CC1
InChIKey: QNJHIQJWHYMGFS-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 9 nM (pChEMBL 8.050000190734863)
Descriptors: MW 590.79, ALogP 6.84, HBA 8, HBD 3, PSA 112.24, QED 0.19
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)c[nH]c3n2)c(OC(C)C)cc1C1CCN(CCO)CC1
InChIKey: WVFWRJRAJIAJMJ-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 620.82, ALogP 6.2, HBA 9, HBD 4, PSA 132.47, QED 0.15
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)c[nH]c3n2)c(OC(C)C)cc1C1CCN(C[C@@H](O)C(F)(F)F)CC1
InChIKey: CHLJQWZELDYSRJ-GDLZYMKVSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 163 nM (pChEMBL 6.789999961853027)
Descriptors: MW 688.82, ALogP 7.13, HBA 9, HBD 4, PSA 132.47, QED 0.13
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3c(C)c[nH]c3n2)c(OC(C)C)cc1C1CCN(C[C@H](O)C(F)(F)F)CC1
InChIKey: CHLJQWZELDYSRJ-LJAQVGFWSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 102 nM (pChEMBL 6.989999771118164)
Descriptors: MW 688.82, ALogP 7.13, HBA 9, HBD 4, PSA 132.47, QED 0.13
Compound (SMILES): Cc1cc(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)c3[nH]nnc3n2)c(OC(C)C)cc1C1CCN(C)CC1
InChIKey: HYVDZBWKEAFWAG-UHFFFAOYSA-N
Target: NPM/ALK (Nucleophosmin/ALK tyrosine kinase receptor) (CHIMERIC PROTEIN), Homo sapiens
UniProt: P06748
Assay: Inhibition of NMP-ALK (unknown origin) expressed in mouse BaF3 cells assessed as reduction in cell proliferation incubated for 2 to 3 days by Bright-Glo luciferase assay
Measurement: IC50 = 47 nM (pChEMBL 7.329999923706055)
Descriptors: MW 578.74, ALogP 5.32, HBA 10, HBD 3, PSA 138.02, QED 0.24
Compound (SMILES): CCN1CCC(c2cc(OC(C)C)c(Nc3nc(Nc4ccccc4S(=O)(=O)C(C)C)c4[nH]nnc4n3)cc2C)CC1
InChIKey: IWJVDVDFZJZBNP-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Enzyme Assay: The inhibition of ALK tyrosine kinase activity may be demonstrated using known methods, for example using the recombinant kinase domain of the ALK in analogy to the VEGF-R kinase assay described in J. Wood et al. Cancer Res. 60, 2178-2189 (2000).
Measurement: IC50 = 39 nM (pChEMBL 7.409999847412109)
Descriptors: MW 592.77, ALogP 5.71, HBA 10, HBD 3, PSA 138.02, QED 0.21
Compound (SMILES): CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1
InChIKey: RBRDVMQNTQBANG-IZZNHLLZSA-N
Target: Substance-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P21452
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 4200 nM (pChEMBL 5.380000114440918)
Descriptors: MW 630.61, ALogP 5.99, HBA 3, HBD 0, PSA 64.17, QED 0.39
Compound (SMILES): CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1
InChIKey: ZDJFLHCNTGAWQS-JYFHCDHNSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 1400 nM (pChEMBL 5.849999904632568)
Descriptors: MW 681.51, ALogP 7.16, HBA 3, HBD 0, PSA 64.17, QED 0.32
Compound (SMILES): CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1
InChIKey: AXYVSTYNMWOVHD-WIOPSUGQSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 99 nM (pChEMBL 7)
Descriptors: MW 565.93, ALogP 5.75, HBA 3, HBD 1, PSA 72.96, QED 0.51
Compound (SMILES): CC(=O)N1CCC(C(=O)N2CC(c3ccc(Cl)c(Cl)c3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1
InChIKey: LIXRIEAGLPGVJF-NRWPOFLRSA-N
Target: Substance-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P21452
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 667.48, ALogP 6.77, HBA 3, HBD 0, PSA 64.17, QED 0.34
Compound (SMILES): CN(C(=O)N(C)[C@@H]1CCN(C2CCS(=O)(=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: CSUAYJZRABTSRO-BJKOFHAPSA-N
Target: Substance-P receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P25103
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 0.073 nM (pChEMBL 10.140000343322754)
Descriptors: MW 609.61, ALogP 5.79, HBA 4, HBD 0, PSA 60.93, QED 0.41
Compound (SMILES): CC(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(F)cc3)C2)CC1
InChIKey: MVWDYFOJQAABRA-LOSJGSFVSA-N
Target: Substance-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P21452
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 549.47, ALogP 4.87, HBA 3, HBD 0, PSA 64.17, QED 0.55
Compound (SMILES): CC(=O)N1CCC(C(=O)N2CC(c3ccc(F)cn3)[C@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1
InChIKey: OIFPROSOIDRACJ-SYIFMXBLSA-N
Target: Substance-P receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P25103
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 0.032 nM (pChEMBL 10.489999771118164)
Descriptors: MW 617.57, ALogP 5, HBA 4, HBD 0, PSA 77.06, QED 0.45
Compound (SMILES): COC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CC1
InChIKey: HUBLDDBZWROLJY-JYQZRRITSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 646.6, ALogP 6.26, HBA 4, HBD 1, PSA 82.19, QED 0.39
Compound (SMILES): CN(C(=O)N(C)[C@@H]1CN(C(=O)C2CCN(C(=O)C(C)(C)O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: GNFGMQJCVYXXRO-LOSJGSFVSA-N
Target: Substance-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P21452
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 2.4 nM (pChEMBL 8.619999885559082)
Descriptors: MW 660.63, ALogP 5.36, HBA 4, HBD 1, PSA 84.4, QED 0.44
Compound (SMILES): CN(C(=O)N(C)[C@@H]1CN(C(=O)NC2CCOCC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: OUYSLNGQLIIZQC-XZOQPEGZSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 590.54, ALogP 5.71, HBA 3, HBD 1, PSA 65.12, QED 0.46
Compound (SMILES): CN(C(=O)N(C)[C@@H]1CN(C(=O)N2CCN(S(C)(=O)=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: LVKWUNFNJODDPV-XZOQPEGZSA-N
Target: Neuromedin-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29371
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 120 nM (pChEMBL 6.920000076293945)
Descriptors: MW 653.62, ALogP 4.52, HBA 4, HBD 0, PSA 84.48, QED 0.46
Compound (SMILES): CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](N(C)C(=O)N(C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1
InChIKey: CAHGELRDKXVTKA-RPBOFIJWSA-N
Target: Substance-K receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P21452
Assay: Binding Assay: Radioligand receptor binding inhibitory assay using human NK receptor.
Measurement: IC50 = 7.1 nM (pChEMBL 8.149999618530273)
Descriptors: MW 616.58, ALogP 5.6, HBA 3, HBD 0, PSA 64.17, QED 0.42
Compound (SMILES): C[C@@H]1C[C@H](O)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C1
InChIKey: WUOBKQMEZQEJEO-ZNMIVQPWSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of PIM1 (unknown origin) using Bad peptide NH2-AGAGRSRHSSYPAGT-OH as substrate measured after 10 mins in presence of ATP by luciferase-luciferin based Kinase-Glo luminescence assay
Measurement: Ki < 1 nM (pChEMBL 9)
Descriptors: MW 441.45, ALogP 5.08, HBA 4, HBD 2, PSA 75.11, QED 0.59
Compound (SMILES): C[C@H]1CN(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C[C@@H](N)[C@@H]1O
InChIKey: BZURHWWJXUKIOZ-CNUNAPQTSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 473.46, ALogP 2.66, HBA 7, HBD 4, PSA 124.6, QED 0.46
Compound (SMILES): C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C[C@@H](N)[C@@H]1O
InChIKey: QTLYBRKPIYULQQ-ZNBXLBILSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 472.47, ALogP 3.72, HBA 6, HBD 4, PSA 121.36, QED 0.46
Compound (SMILES): C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C[C@@H](N)[C@@H]1O
InChIKey: ZWERZKRFVLXPIK-APWSAUDXSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 454.48, ALogP 3.58, HBA 6, HBD 4, PSA 121.36, QED 0.48
Compound (SMILES): N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2cccc(-c3ccc(O)cc3F)n2)C1
InChIKey: ZGMUXPVXFXTVIK-CABCVRRESA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 406.46, ALogP 4.23, HBA 5, HBD 3, PSA 101.13, QED 0.6
Compound (SMILES): N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2cccc(-c3cc(O)ccc3F)n2)C1
InChIKey: UXBVHGGTBYDTJN-CABCVRRESA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 406.46, ALogP 4.23, HBA 5, HBD 3, PSA 101.13, QED 0.6
Compound (SMILES): N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2cccc(-c3c(F)cc(O)cc3F)n2)C1
InChIKey: XPYWUBKBMVKZNW-KGLIPLIRSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 424.45, ALogP 4.36, HBA 5, HBD 3, PSA 101.13, QED 0.58
Compound (SMILES): N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1
InChIKey: YZOMMZUMEUODOX-KGLIPLIRSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 424.45, ALogP 4.36, HBA 5, HBD 3, PSA 101.13, QED 0.58
Compound (SMILES): CC1(C)C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1
InChIKey: IDPLHVZCGVXEDH-LSDHHAIUSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 452.51, ALogP 5, HBA 5, HBD 3, PSA 101.13, QED 0.52
Compound (SMILES): Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)CC(C)(C)C3)ccc2F)c1F
InChIKey: GOYXKJXQXYESKZ-JKSUJKDBSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 468.52, ALogP 5.74, HBA 4, HBD 2, PSA 80.9, QED 0.51
Compound (SMILES): Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)CC(C)(C)C3)n2)c1F
InChIKey: ZNTIFAHOYOIGGK-DLBZAZTESA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 450.53, ALogP 5.6, HBA 4, HBD 2, PSA 80.9, QED 0.54
Compound (SMILES): Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)n2)c1F
InChIKey: CSMNPMNSCMKFAN-URSPUVDMSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 453.49, ALogP 3.13, HBA 6, HBD 3, PSA 104.37, QED 0.56
Compound (SMILES): N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(F)cc(F)c3F)n2)C1
InChIKey: YNSGZPAZNHHVQL-OCCSQVGLSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 444.43, ALogP 4.94, HBA 4, HBD 2, PSA 80.9, QED 0.44
Compound (SMILES): CCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@H](O)[C@@H](C)C3)n2)c1F
InChIKey: UPYHXTVTHXTKNF-XCAVEKCSSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 27 nM (pChEMBL 7.570000171661377)
Descriptors: MW 466.53, ALogP 4.44, HBA 5, HBD 3, PSA 101.13, QED 0.52
Compound (SMILES): C[C@H]1CN(c2ccncc2NC(=O)c2ccc(F)c(C3CCCCC3)n2)C[C@@H](N)[C@@H]1O
InChIKey: KDKNXCUSRALRIT-WTBBCNCBSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 427.52, ALogP 3.06, HBA 6, HBD 3, PSA 104.37, QED 0.69
Compound (SMILES): CCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@@H](O)[C@@H](C)C3)n2)c1F
InChIKey: UPYHXTVTHXTKNF-NFCWVMPKSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 466.53, ALogP 4.44, HBA 5, HBD 3, PSA 101.13, QED 0.52
Compound (SMILES): CCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)n2)c1F
InChIKey: JXHFSTVXTDOYNC-LDJQZATESA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 452.51, ALogP 4.19, HBA 5, HBD 3, PSA 101.13, QED 0.54
Compound (SMILES): CCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3CCC[C@H](N)C3)n2)c1F
InChIKey: AXPHZYUNEZZRPW-SJORKVTESA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 436.51, ALogP 5.22, HBA 4, HBD 2, PSA 80.9, QED 0.57
Compound (SMILES): Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3CCC[C@H](N)C3)ccc2F)c1F
InChIKey: QGXLCQREBIFJLA-CABCVRRESA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 440.47, ALogP 5.11, HBA 4, HBD 2, PSA 80.9, QED 0.59
Compound (SMILES): CCc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)n2)c1F
InChIKey: IRJSEURWZYHEFR-JQHSSLGASA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 450.53, ALogP 5.47, HBA 4, HBD 2, PSA 80.9, QED 0.54
Compound (SMILES): Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3N3C[C@@H](N)[C@H](O)[C@@H](C)C3)ccc2F)c1F
InChIKey: XGXMUOLLOIUNSX-IBRHDDFTSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 471.48, ALogP 3.27, HBA 6, HBD 3, PSA 104.37, QED 0.54
Compound (SMILES): C[C@H]1CN(c2ccncc2NC(=O)c2cccc(-c3ccccc3F)n2)C[C@@H](N)[C@@H]1O
InChIKey: OITXBDUMEJIICF-WTBBCNCBSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 421.48, ALogP 2.68, HBA 6, HBD 3, PSA 104.37, QED 0.6
Compound (SMILES): C[C@H]1CN(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ccc2F)C[C@@H](N)[C@@H]1O
InChIKey: PYVZMEJFWXPRBE-ONJZCGHCSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 457.46, ALogP 2.96, HBA 6, HBD 3, PSA 104.37, QED 0.56
Compound (SMILES): C[C@H]1CN(c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)C[C@@H](N)[C@@H]1O
InChIKey: TWKFMGOCTFDNLY-OIAISFKWSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 439.47, ALogP 2.82, HBA 6, HBD 3, PSA 104.37, QED 0.58
Compound (SMILES): C[C@H]1CN(c2ccncc2NC(=O)c2cccc(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1O
InChIKey: GNTIXZIMEPMGMD-JWCWZOIMSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 439.47, ALogP 2.82, HBA 6, HBD 3, PSA 104.37, QED 0.58
Compound (SMILES): Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1F
InChIKey: FLESDXZVGOIBKK-IMJJTQAJSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 454.5, ALogP 5.35, HBA 4, HBD 2, PSA 80.9, QED 0.56
Compound (SMILES): Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3CCC[C@H](N)C3)n2)c1F
InChIKey: QBDOORMZDCRUOU-CVEARBPZSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 11 nM (pChEMBL 7.960000038146973)
Descriptors: MW 422.48, ALogP 4.97, HBA 4, HBD 2, PSA 80.9, QED 0.62
Compound (SMILES): Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3C[C@H](N)C[C@H](N)C3)n2)c1F
InChIKey: DQUAKDWLLPATPK-MUJYYYPQSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 437.49, ALogP 3.9, HBA 5, HBD 3, PSA 106.92, QED 0.57
Compound (SMILES): Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@H](O)[C@@H](C)C3)n2)c1F
InChIKey: SCFVVTCJKWYEAW-NWLGYZANSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 452.51, ALogP 4.18, HBA 5, HBD 3, PSA 101.13, QED 0.55
Compound (SMILES): Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@@H](O)[C@@H](C)C3)n2)c1F
InChIKey: SCFVVTCJKWYEAW-IIBQFJFNSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 452.51, ALogP 4.18, HBA 5, HBD 3, PSA 101.13, QED 0.55
Compound (SMILES): N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(O)cc3F)n2)C1
InChIKey: JAIGOJJTHHSCML-OLZOCXBDSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 442.44, ALogP 4.5, HBA 5, HBD 3, PSA 101.13, QED 0.55
Compound (SMILES): N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1
InChIKey: SSNMZFGVXQYUKP-KGLIPLIRSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 424.45, ALogP 4.36, HBA 5, HBD 3, PSA 101.13, QED 0.58
Compound (SMILES): N[C@H]1CCC[C@@H](c2ccncc2NC(=O)c2nc(-c3cc(O)ccc3F)ccc2F)C1
InChIKey: SVDDKCFDTZXPLV-KGLIPLIRSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 6 nM (pChEMBL 8.220000267028809)
Descriptors: MW 424.45, ALogP 4.36, HBA 5, HBD 3, PSA 101.13, QED 0.58
Compound (SMILES): C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3cc(O)ccc3F)n2)C1
InChIKey: HSAKWLGNZJVJCZ-XHSDSOJGSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 420.49, ALogP 4.47, HBA 5, HBD 3, PSA 101.13, QED 0.58
Compound (SMILES): C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3c(F)cc(O)cc3F)n2)C1
InChIKey: DOFPZEPZLPYGKA-ZNMIVQPWSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 438.48, ALogP 4.61, HBA 5, HBD 3, PSA 101.13, QED 0.55
Compound (SMILES): C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2cccc(-c3ccc(O)cc3F)n2)C1
InChIKey: FOCOGYAYQMQYQQ-XHSDSOJGSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 7 nM (pChEMBL 8.149999618530273)
Descriptors: MW 420.49, ALogP 4.47, HBA 5, HBD 3, PSA 101.13, QED 0.58
Compound (SMILES): C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3ccc(O)cc3F)n2)C1
InChIKey: ZPWVIHSQBQUPIT-ZNMIVQPWSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 4 nM (pChEMBL 8.399999618530273)
Descriptors: MW 438.48, ALogP 4.61, HBA 5, HBD 3, PSA 101.13, QED 0.55
Compound (SMILES): C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2nc(-c3ccc(O)cc3F)ccc2F)C1
InChIKey: GKKURUBIEFRHRD-ZNMIVQPWSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 438.48, ALogP 4.61, HBA 5, HBD 3, PSA 101.13, QED 0.55
Compound (SMILES): Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@@H](O)[C@@H](C)C3)ccc2F)c1F
InChIKey: JDXDVNMKQNFAFD-ATWPWFFJSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 470.5, ALogP 4.32, HBA 5, HBD 3, PSA 101.13, QED 0.53
Compound (SMILES): Cc1ccc(F)c(-c2cccc(C(=O)Nc3cnccc3[C@@H]3CC[C@H](O)[C@H](N)C3)n2)c1F
InChIKey: BUHFIGHCARUNTG-ZVGUJKQYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 438.48, ALogP 3.94, HBA 5, HBD 3, PSA 101.13, QED 0.57
Compound (SMILES): C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cc(O)cc3F)ccc2F)C1
InChIKey: MXGJFGVAPMJHRD-MJBXVCDLSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 456.47, ALogP 4.75, HBA 5, HBD 3, PSA 101.13, QED 0.53
Compound (SMILES): C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2nc(-c3cc(O)ccc3F)ccc2F)C1
InChIKey: FUCDNRWEBGAXAG-ZNMIVQPWSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 438.48, ALogP 4.61, HBA 5, HBD 3, PSA 101.13, QED 0.55
Compound (SMILES): Cc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@H](O)[C@@H](C)C3)ccc2F)c1F
InChIKey: JDXDVNMKQNFAFD-PSUKHOSGSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 470.5, ALogP 4.32, HBA 5, HBD 3, PSA 101.13, QED 0.53
Compound (SMILES): COc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)C[C@H](N)C3)ccc2F)c1
InChIKey: JXINSHNJIUKPKA-XHSDSOJGSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 452.51, ALogP 4.91, HBA 5, HBD 2, PSA 90.13, QED 0.57
Compound (SMILES): C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3cc(O)ccc3F)n2)C1
InChIKey: UZWHYZYDTYMXLJ-ZNMIVQPWSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 2 nM (pChEMBL 8.699999809265137)
Descriptors: MW 438.48, ALogP 4.61, HBA 5, HBD 3, PSA 101.13, QED 0.55
Compound (SMILES): COc1ccc(F)c(-c2nc(C(=O)Nc3cnccc3[C@H]3C[C@@H](N)[C@H](O)[C@@H](C)C3)ccc2F)c1F
InChIKey: BRURCCZOEKNNPP-KRLRPUKKSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: ATP Depletion Assay: The activity of PIM1, PIM2, and PIM3 is measured using a luciferase-luciferin based ATP detection reagent to quantify ATP depletion resulting from kinase-catalyzed phosphoryl transfer to a peptide substrate.
Measurement: IC50 = 3 nM (pChEMBL 8.520000457763672)
Descriptors: MW 486.49, ALogP 4.02, HBA 6, HBD 3, PSA 110.36, QED 0.5