lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CNCC(C)(C)COc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIKey: XKKPUVJVSGGFGO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 143 nM (pChEMBL 6.840000152587891)
Descriptors: MW 361.45, ALogP 3.57, HBA 6, HBD 1, PSA 64.34, QED 0.57
Compound (SMILES): c1cc(OC2CC3CCC(C2)N3)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: OPXDNPAGMKMBTA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 585 nM (pChEMBL 6.230000019073486)
Descriptors: MW 371.44, ALogP 3.61, HBA 6, HBD 1, PSA 64.34, QED 0.6
Compound (SMILES): CCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CN
InChIKey: AZSRVVPUAZTMAY-BUSXIPJBSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 318 nM (pChEMBL 6.5)
Descriptors: MW 375.48, ALogP 4.09, HBA 6, HBD 1, PSA 78.33, QED 0.53
Compound (SMILES): CCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@H](CC)CN
InChIKey: AZSRVVPUAZTMAY-NNJIEVJOSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 413 nM (pChEMBL 6.380000114440918)
Descriptors: MW 375.48, ALogP 4.09, HBA 6, HBD 1, PSA 78.33, QED 0.53
Compound (SMILES): CC[C@@H](CN)C(C)Oc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIKey: LIVUQZJIYLMRNO-LOACHALJSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 399 nM (pChEMBL 6.400000095367432)
Descriptors: MW 361.45, ALogP 3.7, HBA 6, HBD 1, PSA 78.33, QED 0.57
Compound (SMILES): CC[C@H](CN)C(C)Oc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIKey: LIVUQZJIYLMRNO-YSSOQSIOSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 279 nM (pChEMBL 6.550000190734863)
Descriptors: MW 361.45, ALogP 3.7, HBA 6, HBD 1, PSA 78.33, QED 0.57
Compound (SMILES): CCCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CN
InChIKey: UZUNZLBTOKJXFM-UCFFOFKASA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1346 nM (pChEMBL 5.869999885559082)
Descriptors: MW 389.5, ALogP 4.48, HBA 6, HBD 1, PSA 78.33, QED 0.48
Compound (SMILES): CCCC(Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@H](CC)CN
InChIKey: UZUNZLBTOKJXFM-VTBWFHPJSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1359 nM (pChEMBL 5.869999885559082)
Descriptors: MW 389.5, ALogP 4.48, HBA 6, HBD 1, PSA 78.33, QED 0.48
Compound (SMILES): CC(C)(CN)COc1cc(F)cc2ccc(-c3nnc4ccccn34)nc12
InChIKey: NIPDJBAMYWKEHF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 365.41, ALogP 3.45, HBA 6, HBD 1, PSA 78.33, QED 0.59
Compound (SMILES): NC(=O)N1CCC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIKey: QTMIZGAYEHCXKL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1277 nM (pChEMBL 5.889999866485596)
Descriptors: MW 388.43, ALogP 2.87, HBA 6, HBD 1, PSA 98.64, QED 0.58
Compound (SMILES): NCC(F)(F)COc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIKey: AVHYIXDAOCBQIU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 182 nM (pChEMBL 6.739999771118164)
Descriptors: MW 355.35, ALogP 2.92, HBA 6, HBD 1, PSA 78.33, QED 0.6
Compound (SMILES): CC(C)(CN)COc1ccc(F)c2ccc(-c3nnc4ccccn34)nc12
InChIKey: NQMGIRXTZPKONK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 365.41, ALogP 3.45, HBA 6, HBD 1, PSA 78.33, QED 0.59
Compound (SMILES): c1cncc(COc2cccc3ccc(-c4nnc5ccccn45)nc23)c1
InChIKey: UDUHUPMKTQPDJW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 7473 nM (pChEMBL 5.130000114440918)
Descriptors: MW 353.39, ALogP 3.92, HBA 6, HBD 0, PSA 65.2, QED 0.49
Compound (SMILES): c1cc(OCc2ccncc2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: BRKBEUWDJQDKTM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1734 nM (pChEMBL 5.760000228881836)
Descriptors: MW 353.39, ALogP 3.92, HBA 6, HBD 0, PSA 65.2, QED 0.49
Compound (SMILES): FC1CCNCCC1Oc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIKey: CBZNDVANLGVAAJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PIM-1 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 35uM [gamma-33P] ATP (20 uCi/mL), 7.5 uM PIM2tide and 0.25 nM PIM-1 in a total volume of 50 pt.
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 377.42, ALogP 3.41, HBA 6, HBD 1, PSA 64.34, QED 0.59
Compound (SMILES): FC1CNCCCC1Oc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIKey: KDDDVGDVYWKNOE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 406 nM (pChEMBL 6.389999866485596)
Descriptors: MW 377.42, ALogP 3.41, HBA 6, HBD 1, PSA 64.34, QED 0.59
Compound (SMILES): c1cc(OC2CCCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: FMCHSBJRGSMUTQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PIM-1 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 35uM [gamma-33P] ATP (20 uCi/mL), 7.5 uM PIM2tide and 0.25 nM PIM-1 in a total volume of 50 pt.
Measurement: IC50 = 4.8 nM (pChEMBL 8.319999694824219)
Descriptors: MW 359.43, ALogP 3.47, HBA 6, HBD 1, PSA 64.34, QED 0.61
Compound (SMILES): CN(C)C(=O)[C@@H]1CC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1
InChIKey: NXZWFFIZPRXGPO-DAFXYXGESA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 416.49, ALogP 2.53, HBA 7, HBD 1, PSA 84.65, QED 0.55
Compound (SMILES): CON(C)C(=O)[C@@H]1CC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1
InChIKey: SZEWRLXOHSKGEK-DAFXYXGESA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 432.48, ALogP 2.46, HBA 8, HBD 1, PSA 93.88, QED 0.48
Compound (SMILES): OC[C@@H]1CC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1
InChIKey: XXSRLUNTWYTWGT-VYRBHSGPSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 427 nM (pChEMBL 6.369999885559082)
Descriptors: MW 375.43, ALogP 2.44, HBA 7, HBD 2, PSA 84.57, QED 0.57
Compound (SMILES): COC[C@@H]1CC(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1
InChIKey: RUJLVOBTFPKXGV-BHWOMJMDSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 484 nM (pChEMBL 6.320000171661377)
Descriptors: MW 389.46, ALogP 3.09, HBA 7, HBD 1, PSA 73.57, QED 0.57
Compound (SMILES): CC(C)(CN)COc1c(Br)ccc2ccc(-c3nnc4ccccn34)nc12
InChIKey: UHYACKXUWYSKIU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 204 nM (pChEMBL 6.690000057220459)
Descriptors: MW 426.32, ALogP 4.07, HBA 6, HBD 1, PSA 78.33, QED 0.52
Compound (SMILES): Fc1ccc2nnc(-c3ccc4cccc(OC5CCNCC5F)c4n3)n2c1
InChIKey: CTVPSIXLKPKNTQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 2866 nM (pChEMBL 5.539999961853027)
Descriptors: MW 381.39, ALogP 3.16, HBA 6, HBD 1, PSA 64.34, QED 0.59
Compound (SMILES): Fc1ccn2c(-c3ccc4cccc(OC5CCNCC5F)c4n3)nnc2c1
InChIKey: GMEASXSIOIGYFE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1760 nM (pChEMBL 5.75)
Descriptors: MW 381.39, ALogP 3.16, HBA 6, HBD 1, PSA 64.34, QED 0.59
Compound (SMILES): c1cc(OC[C@@H]2CCCN2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: ORWFEWSJBCTIST-HNNXBMFYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 345.41, ALogP 3.08, HBA 6, HBD 1, PSA 64.34, QED 0.62
Compound (SMILES): OCC(O)COc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIKey: QROPNMPPKCMQAY-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1721 nM (pChEMBL 5.760000228881836)
Descriptors: MW 336.35, ALogP 1.68, HBA 7, HBD 2, PSA 92.77, QED 0.58
Compound (SMILES): CC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(Br)cn34)nc12
InChIKey: YRYBUDFRAMZDPV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 101 nM (pChEMBL 7)
Descriptors: MW 426.32, ALogP 4.07, HBA 6, HBD 1, PSA 78.33, QED 0.52
Compound (SMILES): CC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12
InChIKey: DPNYLXBQKCMOTA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 323 nM (pChEMBL 6.489999771118164)
Descriptors: MW 387.49, ALogP 4.19, HBA 6, HBD 1, PSA 78.33, QED 0.54
Compound (SMILES): CC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12
InChIKey: LLCBENGUWIODIZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 174 nM (pChEMBL 6.760000228881836)
Descriptors: MW 423.52, ALogP 4.98, HBA 6, HBD 1, PSA 78.33, QED 0.42
Compound (SMILES): CC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1
InChIKey: LIKKMSJYXQMOCX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 69 nM (pChEMBL 7.159999847412109)
Descriptors: MW 373.46, ALogP 3.71, HBA 6, HBD 1, PSA 64.34, QED 0.59
Compound (SMILES): CCC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1
InChIKey: HETPKWYRMKCRBF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 126 nM (pChEMBL 6.900000095367432)
Descriptors: MW 387.49, ALogP 4.1, HBA 6, HBD 1, PSA 64.34, QED 0.56
Compound (SMILES): c1cc(OCC2(CC3CC3)CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: QJCCGCRBXGFEOI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 95 nM (pChEMBL 7.019999980926514)
Descriptors: MW 413.53, ALogP 4.49, HBA 6, HBD 1, PSA 64.34, QED 0.5
Compound (SMILES): CC(C)C1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1
InChIKey: GANFQJFXZYPGOX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 67 nM (pChEMBL 7.170000076293945)
Descriptors: MW 401.51, ALogP 4.35, HBA 6, HBD 1, PSA 64.34, QED 0.54
Compound (SMILES): OC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN(Cc2ccccc2)CC1
InChIKey: BXMIWWRRFNMNOL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 465.56, ALogP 4.35, HBA 7, HBD 1, PSA 75.78, QED 0.4
Compound (SMILES): OC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1
InChIKey: ILKOWNVFKVGQKA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 588 nM (pChEMBL 6.230000019073486)
Descriptors: MW 375.43, ALogP 2.44, HBA 7, HBD 2, PSA 84.57, QED 0.57
Compound (SMILES): COC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1
InChIKey: NNCWGHBKJIEMSS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 79 nM (pChEMBL 7.099999904632568)
Descriptors: MW 389.46, ALogP 3.09, HBA 7, HBD 1, PSA 73.57, QED 0.57
Compound (SMILES): c1cc(Oc2ccncc2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: LHYMZRAAHMXXAW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1994 nM (pChEMBL 5.699999809265137)
Descriptors: MW 339.36, ALogP 4.13, HBA 6, HBD 0, PSA 65.2, QED 0.49
Compound (SMILES): Nc1cc(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)ccn1
InChIKey: FCBCXLYBVJUGRO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 8935 nM (pChEMBL 5.050000190734863)
Descriptors: MW 354.37, ALogP 3.71, HBA 7, HBD 1, PSA 91.22, QED 0.53
Compound (SMILES): Nc1nccc(Oc2cccc3ccc(-c4nnc5ccccn45)nc23)n1
InChIKey: QJQQPKWBHPFTEZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 355.36, ALogP 3.11, HBA 8, HBD 1, PSA 104.11, QED 0.53
Compound (SMILES): FC1(COc2cccc3ccc(-c4nnc5ccc(Br)cn45)nc23)CCNCC1
InChIKey: HXQPFMKSDOZAOU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1389 nM (pChEMBL 5.860000133514404)
Descriptors: MW 456.32, ALogP 4.18, HBA 6, HBD 1, PSA 64.34, QED 0.5
Compound (SMILES): FC1CNCCC1Oc1cccc2ccc(-c3nnc4ccc(Br)cn34)nc12
InChIKey: GFKGJYLACPSTJU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1278 nM (pChEMBL 5.889999866485596)
Descriptors: MW 442.29, ALogP 3.79, HBA 6, HBD 1, PSA 64.34, QED 0.52
Compound (SMILES): FC1(COc2cccc3ccc(-c4nnc5ccc(C6CC6)cn45)nc23)CCNCC1
InChIKey: LUTLMEWAYGPCHC-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 417.49, ALogP 4.29, HBA 6, HBD 1, PSA 64.34, QED 0.52
Compound (SMILES): FC1CNCCC1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12
InChIKey: MIOMGNNEGLSKDE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1163 nM (pChEMBL 5.929999828338623)
Descriptors: MW 403.46, ALogP 3.9, HBA 6, HBD 1, PSA 64.34, QED 0.56
Compound (SMILES): FC1(COc2cccc3ccc(-c4nnc5ccc(-c6ccccc6)cn45)nc23)CCNCC1
InChIKey: ABHCOFKCKYHXPW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 142 nM (pChEMBL 6.849999904632568)
Descriptors: MW 453.52, ALogP 5.08, HBA 6, HBD 1, PSA 64.34, QED 0.4
Compound (SMILES): FC1CNCCC1Oc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12
InChIKey: NLZJFVXOFCFQHC-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1035 nM (pChEMBL 5.989999771118164)
Descriptors: MW 439.49, ALogP 4.69, HBA 6, HBD 1, PSA 64.34, QED 0.44
Compound (SMILES): NC(=O)CN1CCC(F)(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIKey: PQACSMVQKDXJMY-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 193 nM (pChEMBL 6.710000038146973)
Descriptors: MW 434.48, ALogP 2.61, HBA 7, HBD 1, PSA 98.64, QED 0.5
Compound (SMILES): CN1CCC(F)(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIKey: STNHSLUMJBRWOG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 73 nM (pChEMBL 7.139999866485596)
Descriptors: MW 391.45, ALogP 3.76, HBA 6, HBD 0, PSA 55.55, QED 0.53
Compound (SMILES): OCCN1CCC(F)(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIKey: HLVXBQWAULZBSW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 105 nM (pChEMBL 6.980000019073486)
Descriptors: MW 421.48, ALogP 3.12, HBA 7, HBD 1, PSA 75.78, QED 0.52
Compound (SMILES): CC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN(CCO)CC1
InChIKey: HFWFTPAPYFCKSG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 142 nM (pChEMBL 6.849999904632568)
Descriptors: MW 417.51, ALogP 3.42, HBA 7, HBD 1, PSA 75.78, QED 0.52
Compound (SMILES): COC(=O)[C@@H]1C[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CN1
InChIKey: SAVPCTYZGZDSSO-HOCLYGCPSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Rattus norvegicus
UniProt: O70444
Assay: PIM-3 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 30 uM [gamma-33P] ATP (20 uCi/mL), 3.75 uM PIM2tide and 0.5 nM recombinant rat PIM-3 in place of PIM-1.
Measurement: IC50 = 248 nM (pChEMBL 6.610000133514404)
Descriptors: MW 389.42, ALogP 2.23, HBA 8, HBD 1, PSA 90.64, QED 0.54
Compound (SMILES): Fc1cc(OC2CCNCC2F)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: KXDUVJWVGXIEPX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 502 nM (pChEMBL 6.300000190734863)
Descriptors: MW 381.39, ALogP 3.16, HBA 6, HBD 1, PSA 64.34, QED 0.59
Compound (SMILES): Fc1cc(OC2CCNCCC2F)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: SJVQOMGMHYJTEW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PIM-1 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 35uM [gamma-33P] ATP (20 uCi/mL), 7.5 uM PIM2tide and 0.25 nM PIM-1 in a total volume of 50 pt.
Measurement: IC50 = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 395.41, ALogP 3.55, HBA 6, HBD 1, PSA 64.34, QED 0.57
Compound (SMILES): Cc1ccn2c(-c3ccc4cccc(OC5CCNCCC5F)c4n3)nnc2c1
InChIKey: KOQXLXUOIGXSIW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PIM-1 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 35uM [gamma-33P] ATP (20 uCi/mL), 7.5 uM PIM2tide and 0.25 nM PIM-1 in a total volume of 50 pt.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 391.45, ALogP 3.72, HBA 6, HBD 1, PSA 64.34, QED 0.58
Compound (SMILES): Fc1cc(OC2CCNCC2(F)F)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: INYRWBVCPQQSGE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 506 nM (pChEMBL 6.300000190734863)
Descriptors: MW 399.38, ALogP 3.46, HBA 6, HBD 1, PSA 64.34, QED 0.57
Compound (SMILES): FC1CNCCC1Oc1cccc2ccc(-c3nnc4ccccn34)nc12
InChIKey: ZXQIHLJIAWEHOF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PIM-1 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 35uM [gamma-33P] ATP (20 uCi/mL), 7.5 uM PIM2tide and 0.25 nM PIM-1 in a total volume of 50 pt.
Measurement: IC50 = 9.8 nM (pChEMBL 8.010000228881836)
Descriptors: MW 363.4, ALogP 3.02, HBA 6, HBD 1, PSA 64.34, QED 0.61
Compound (SMILES): FC1CCNCCC1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12
InChIKey: ABZNMUCRZXRUAU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 661.3 nM (pChEMBL 6.179999828338623)
Descriptors: MW 417.49, ALogP 4.29, HBA 6, HBD 1, PSA 64.34, QED 0.54
Compound (SMILES): Cc1ccc2nnc(-c3ccc4cccc(OC5CCNCCC5F)c4n3)n2c1
InChIKey: RMWWTXNOTVLFAD-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PIM-1 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 35uM [gamma-33P] ATP (20 uCi/mL), 7.5 uM PIM2tide and 0.25 nM PIM-1 in a total volume of 50 pt.
Measurement: IC50 = 1.5 nM (pChEMBL 8.819999694824219)
Descriptors: MW 391.45, ALogP 3.72, HBA 6, HBD 1, PSA 64.34, QED 0.58
Compound (SMILES): [C-]#[N+]c1ccc2nnc(-c3ccc4cccc(OC5CCNCCC5F)c4n3)n2c1
InChIKey: GFVZLOMZOSEUPY-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 402.43, ALogP 3.96, HBA 6, HBD 1, PSA 68.7, QED 0.53
Compound (SMILES): Fc1ccc2nnc(-c3ccc4cccc(OC5CCNCCC5F)c4n3)n2c1
InChIKey: YUDHKJJAUQNWBR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 439.6 nM (pChEMBL 6.360000133514404)
Descriptors: MW 395.41, ALogP 3.55, HBA 6, HBD 1, PSA 64.34, QED 0.57
Compound (SMILES): Fc1ccc2nnc(-c3ccc4cccc(OCC5(F)CCNCC5)c4n3)n2c1
InChIKey: DFPNYFLFFOGKAB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 65.6 nM (pChEMBL 7.179999828338623)
Descriptors: MW 395.41, ALogP 3.55, HBA 6, HBD 1, PSA 64.34, QED 0.57
Compound (SMILES): CCN1CCC(F)(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIKey: RYSAKMOLNKFGCG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 191.2 nM (pChEMBL 6.71999979019165)
Descriptors: MW 405.48, ALogP 4.15, HBA 6, HBD 0, PSA 55.55, QED 0.5
Compound (SMILES): FCCN1CCC(F)(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CC1
InChIKey: YUOMNHIIJUOCOA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 409 nM (pChEMBL 6.389999866485596)
Descriptors: MW 423.47, ALogP 4.1, HBA 6, HBD 0, PSA 55.55, QED 0.47
Compound (SMILES): Fc1cc(OCC2(F)CCNCC2)c2nc(-c3nnc4ccccn34)ccc2c1
InChIKey: NQXPYPBIBFFEAE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 25.4 nM (pChEMBL 7.590000152587891)
Descriptors: MW 395.41, ALogP 3.55, HBA 6, HBD 1, PSA 64.34, QED 0.57
Compound (SMILES): FC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CNC1
InChIKey: DHICUKZZXJZLPW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PIM-2 Enzyme Assay: The assay for the determination of PIM activity is based on the incorporation of [33P] ATP into PIM2tide substrate and capture of the radiolabeled peptide onto a Whatman P81 (phosphocellulose) filter plate. Assay mixtures contained 4 uM [gamma-33P] ATP (20 uCi/mL), 1.0 uM PIM2tide and 1.5 nM PIM-2 in place of PIM-1.
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 349.37, ALogP 2.63, HBA 6, HBD 1, PSA 64.34, QED 0.61
Compound (SMILES): Cc1cn2nc(-c3ccc([C@H](C)N4CC[C@](CC(C)(C)O)(c5ccccc5)OC4=O)cc3)ccc2n1
InChIKey: AJWNZYQNKANWSQ-LGGPFLRQSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: Scintillation Proximity Assay: The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly, S. S. Mundt, H. J. Zokian, G. J. Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format.
Measurement: IC50 = 5.9 nM (pChEMBL 8.229999542236328)
Descriptors: MW 484.6, ALogP 5.66, HBA 6, HBD 1, PSA 79.96, QED 0.38
Compound (SMILES): Cc1nc2ccc(-c3ccc([C@H](C)N4CC[C@](CC(C)(C)O)(c5ccccc5)OC4=O)cc3)cn2n1
InChIKey: MUMOORRDWCGHDT-WRONEBCDSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: Scintillation Proximity Assay: The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly, S. S. Mundt, H. J. Zokian, G. J. Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format.
Measurement: IC50 = 8.1 nM (pChEMBL 8.09000015258789)
Descriptors: MW 484.6, ALogP 5.66, HBA 6, HBD 1, PSA 79.96, QED 0.38
Compound (SMILES): C[C@@H](c1ccc(-c2ccc3nccn3n2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O
InChIKey: MSTDOBPWYBQASR-MMTVBGGISA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: Scintillation Proximity Assay: The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly, S. S. Mundt, H. J. Zokian, G. J. Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format.
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 470.57, ALogP 5.36, HBA 6, HBD 1, PSA 79.96, QED 0.41
Compound (SMILES): C[C@@H](c1ccc(-c2ccc3ncnn3c2)cc1)N1CC[C@](CC(C)(C)O)(c2ccccc2)OC1=O
InChIKey: MYTKDJGZGAVDKP-MMTVBGGISA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: Scintillation Proximity Assay: The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly, S. S. Mundt, H. J. Zokian, G. J. Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format.
Measurement: IC50 = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 470.57, ALogP 5.36, HBA 6, HBD 1, PSA 79.96, QED 0.41
Compound (SMILES): Cc1nc2ccc(-c3ccc([C@H](C)N4CC[C@](CC(C)(C)O)(C(C)C)OC4=O)cc3)cn2n1
InChIKey: DERAIVBXARVNNP-QYBDOPJKSA-N
Target: 11-beta-hydroxysteroid dehydrogenase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28845
Assay: Scintillation Proximity Assay: The inhibition of a microsomal preparation of 11β-HSD1 by compounds of the invention was measured essentially as previously described (K. Solly, S. S. Mundt, H. J. Zokian, G. J. Ding, A. Hermanowski-Vosatka, B. Strulovici, and W. Zheng, High-Throughput Screening of 11-Beta-Hydroxyseroid Dehydrogenase Type 1 in Scintillation Proximity Assay Format.
Measurement: IC50 > 1000 nM (pChEMBL 6)
Descriptors: MW 450.58, ALogP 5.16, HBA 6, HBD 1, PSA 79.96, QED 0.56
Compound (SMILES): CC[C@@H]1C(=O)N(C)c2cnc(Nc3cc(N4CCN(C)CC4)ccc3OC(F)(F)F)nc2N1C1CCCC1
InChIKey: UKDYPCZCLRCOMP-HXUWFJFHSA-N
Target: Serine/threonine-protein kinase PLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53350
Assay: Biochemical Assay: The inhibitory activity of putative kinase inhibitors and the potency of selected compounds were determined using a trans-phosphorylation assay.
Measurement: IC50 = 32 nM (pChEMBL 7.5)
Descriptors: MW 533.6, ALogP 4.37, HBA 8, HBD 1, PSA 77.07, QED 0.59
Compound (SMILES): N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCc2ccccc2)NS(=O)(=O)Cc2cccc(C(=O)O)c2)cc1
InChIKey: OITRKHUOZGPBJI-AJQTZOPKSA-N
Target: Vitamin K-dependent protein C (SINGLE PROTEIN), Homo sapiens
UniProt: P04070
Assay: Inhibition Assay: Inhibition of human aPC was determined by the method described in [0092]-[0098] using human activated protein C from Enzyme Research Laboratories at 2.2 nM and H-D-Lys(Cbo)-Pro-Arg-pNA (Pefachrome PCa) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar).
Measurement: Ki = 310 nM (pChEMBL 6.510000228881836)
Descriptors: MW 690.87, ALogP 3.06, HBA 7, HBD 7, PSA 203.57, QED 0.08
Compound (SMILES): CC(=O)N1CCC(CC[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCC2CCNCC2)C(=O)NCc2ccc(C(=N)N)cc2)CC1
InChIKey: XATHBXYKVIAZOR-AJQTZOPKSA-N
Target: Plasma kallikrein (SINGLE PROTEIN), Homo sapiens
UniProt: P03952
Assay: Inhibition Assay: The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem., 40, 3091-3099 (1997)).
Measurement: Ki = 5 nM (pChEMBL 8.300000190734863)
Descriptors: MW 681.9, ALogP 2.38, HBA 7, HBD 6, PSA 186.58, QED 0.12
Compound (SMILES): N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCCC2CCNCC2)NS(=O)(=O)Cc2ccccc2)cc1
InChIKey: FDLUVBKZNIPEQR-IOWSJCHKSA-N
Target: Plasma kallikrein (SINGLE PROTEIN), Homo sapiens
UniProt: P03952
Assay: Inhibition Assay: The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem., 40, 3091-3099 (1997)).
Measurement: Ki = 7.5 nM (pChEMBL 8.119999885559082)
Descriptors: MW 653.89, ALogP 2.51, HBA 7, HBD 7, PSA 178.3, QED 0.1
Compound (SMILES): N=C(N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@@H](CCC2CCN(C(=O)C3CC3)CC2)NS(=O)(=O)Cc2ccccc2)cc1
InChIKey: DIFGLRSYVDIDJS-JHOUSYSJSA-N
Target: Plasma kallikrein (SINGLE PROTEIN), Homo sapiens
UniProt: P03952
Assay: Inhibition Assay: The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem., 40, 3091-3099 (1997)).
Measurement: Ki = 0.3 nM (pChEMBL 9.520000457763672)
Descriptors: MW 707.94, ALogP 2.77, HBA 7, HBD 6, PSA 186.58, QED 0.11