lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1
InChIKey: ULMCFLZUGRSEQA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00535
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 500.58, ALogP 5.05, HBA 8, HBD 4, PSA 127.32, QED 0.25
Compound (SMILES): CCCC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIKey: RVSKJUNTDGBSSS-UHFFFAOYSA-N
Target: Non-receptor tyrosine-protein kinase TYK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29597
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TYK2
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 360.42, ALogP 3.61, HBA 5, HBD 2, PSA 88.49, QED 0.55
Compound (SMILES): O=C1Nc2ccccc2Nc2nnc(I)cc21
InChIKey: IFQICUARAXVEIQ-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11362
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR1
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 338.11, ALogP 2.39, HBA 4, HBD 2, PSA 66.91, QED 0.72
Compound (SMILES): CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12
InChIKey: BJJHHKOPTKQUFQ-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16644
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 380.4, ALogP 4, HBA 6, HBD 0, PSA 60.9, QED 0.54
Compound (SMILES): CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)c(F)c3n21
InChIKey: BJABYARMBVPDHZ-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13554
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2B
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 381.4, ALogP 2.18, HBA 6, HBD 2, PSA 88.56, QED 0.83
Compound (SMILES): CC(C)(C)c1cc(NC(=O)C(=O)c2cccc3ccccc23)n(-c2ccc(OCC(N)=O)cc2)n1
InChIKey: OUHZERPTTDHQIV-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IGF1R
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 470.53, ALogP 4.01, HBA 6, HBD 2, PSA 116.31, QED 0.31
Compound (SMILES): CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1
InChIKey: HHSVICUMCOBRPT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4B4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 275.31, ALogP 2.79, HBA 3, HBD 2, PSA 57.78, QED 0.76
Compound (SMILES): O=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]ncc12
InChIKey: QIXBPDJPNDOGRJ-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 300.75, ALogP 3.54, HBA 2, HBD 3, PSA 69.81, QED 0.69
Compound (SMILES): C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12
InChIKey: HDRLAVNNWSHSOA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P49336
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 277.32, ALogP 4.12, HBA 3, HBD 1, PSA 45.73, QED 0.44
Compound (SMILES): Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2OCC(C)C
InChIKey: DNUARRYUJCTBON-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase TAO1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L7X3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TAO1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 319.79, ALogP 2.93, HBA 5, HBD 0, PSA 49.05, QED 0.75
Compound (SMILES): CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1
InChIKey: HWGZXYUOXGVACR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK3
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 415.5, ALogP 2.91, HBA 8, HBD 1, PSA 94.86, QED 0.55
Compound (SMILES): CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1
InChIKey: RTDSHUGNRVXRHN-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT3
Measurement: Ki = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 460.49, ALogP 2.18, HBA 8, HBD 4, PSA 148.33, QED 0.4
Compound (SMILES): C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
InChIKey: BKWJAKQVGHWELA-UHFFFAOYSA-N
Target: AP2-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q2M2I8
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 500.61, ALogP 2.89, HBA 10, HBD 2, PSA 104.34, QED 0.37
Compound (SMILES): Nc1ncnc2c1sc1ncnc(N)c12
InChIKey: IUEBPIPDFMCSTP-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23443
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KB1
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 218.25, ALogP 0.8, HBA 7, HBD 2, PSA 103.6, QED 0.58
Compound (SMILES): CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: ZJAHDRFLBKWZPM-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IW41
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK5
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 419.51, ALogP 3.99, HBA 7, HBD 1, PSA 71.24, QED 0.49
Compound (SMILES): c1cc2cc(-c3ccc4cn[nH]c4c3)cnc2[nH]1
InChIKey: ZLVOTRRGLSDLPF-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 234.26, ALogP 3.11, HBA 2, HBD 2, PSA 57.36, QED 0.53
Compound (SMILES): O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1
InChIKey: GKQJYCBMMCLAOZ-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT3
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 405.24, ALogP 4.97, HBA 3, HBD 2, PSA 91.27, QED 0.47
Compound (SMILES): Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12
InChIKey: RWEHAHIEUDLKGT-UHFFFAOYSA-N
Target: Maternal embryonic leucine zipper kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q14680
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MELK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 439.34, ALogP 5.95, HBA 4, HBD 3, PSA 80.04, QED 0.37
Compound (SMILES): COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VGNKOJURPOHWJF-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 347.42, ALogP 3.19, HBA 4, HBD 2, PSA 77.24, QED 0.72
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1
InChIKey: CSMDANWISUYBHA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 388.5, ALogP 5.81, HBA 4, HBD 3, PSA 80.04, QED 0.41
Compound (SMILES): Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1
InChIKey: SBWCIJOOABLPME-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P49336
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8
Measurement: Ki = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 402.45, ALogP 3.93, HBA 7, HBD 2, PSA 95.42, QED 0.53
Compound (SMILES): CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12
InChIKey: TVLFEDKEAOXRCZ-UHFFFAOYSA-N
Target: Casein kinase I isoform delta (SINGLE PROTEIN), Homo sapiens
UniProt: P48730
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1D
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 281.36, ALogP 3.41, HBA 3, HBD 2, PSA 61.8, QED 0.77
Compound (SMILES): O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12
InChIKey: GHAZVJQMLWOQLP-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23443
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KB1
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 333.27, ALogP 3.69, HBA 4, HBD 2, PSA 79.8, QED 0.75
Compound (SMILES): CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIKey: QKFXSCNWJZKJSJ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRC
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 410.38, ALogP 3.29, HBA 8, HBD 1, PSA 93.75, QED 0.49
Compound (SMILES): COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C
InChIKey: NRZYTPAJGVTKIM-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Blk (SINGLE PROTEIN), Homo sapiens
UniProt: P51451
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BLK
Measurement: Ki = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 416.44, ALogP 3.72, HBA 7, HBD 3, PSA 123.64, QED 0.44
Compound (SMILES): Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12
InChIKey: FFCFHBVSGILIJY-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 532.48, ALogP 6.04, HBA 7, HBD 3, PSA 115.8, QED 0.26
Compound (SMILES): O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: SYSUZXPGQXEWCZ-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCP0
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 288.35, ALogP 3.68, HBA 2, HBD 1, PSA 41.99, QED 0.8
Compound (SMILES): CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F
InChIKey: HZPACYSNLOCDLW-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2
Measurement: Ki = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 358.38, ALogP 4, HBA 6, HBD 1, PSA 79.42, QED 0.6
Compound (SMILES): COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1
InChIKey: ULMCFLZUGRSEQA-UHFFFAOYSA-N
Target: SRSF protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96SB4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRPK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 500.58, ALogP 5.05, HBA 8, HBD 4, PSA 127.32, QED 0.25
Compound (SMILES): CCCC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIKey: RVSKJUNTDGBSSS-UHFFFAOYSA-N
Target: Misshapen-like kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4C8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MINK
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 360.42, ALogP 3.61, HBA 5, HBD 2, PSA 88.49, QED 0.55
Compound (SMILES): O=C1Nc2ccccc2Nc2nnc(I)cc21
InChIKey: IFQICUARAXVEIQ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase ROS (SINGLE PROTEIN), Homo sapiens
UniProt: P08922
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROS1
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 338.11, ALogP 2.39, HBA 4, HBD 2, PSA 66.91, QED 0.72
Compound (SMILES): CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12
InChIKey: BJJHHKOPTKQUFQ-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13554
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2B
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 380.4, ALogP 4, HBA 6, HBD 0, PSA 60.9, QED 0.54
Compound (SMILES): CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)c(F)c3n21
InChIKey: BJABYARMBVPDHZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM1
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 381.4, ALogP 2.18, HBA 6, HBD 2, PSA 88.56, QED 0.83
Compound (SMILES): CC(C)(C)c1cc(NC(=O)C(=O)c2cccc3ccccc23)n(-c2ccc(OCC(N)=O)cc2)n1
InChIKey: OUHZERPTTDHQIV-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BTK
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 470.53, ALogP 4.01, HBA 6, HBD 2, PSA 116.31, QED 0.31
Compound (SMILES): CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1
InChIKey: HHSVICUMCOBRPT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MRCK alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q5VT25
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC42BPA
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 275.31, ALogP 2.79, HBA 3, HBD 2, PSA 57.78, QED 0.76
Compound (SMILES): O=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]ncc12
InChIKey: QIXBPDJPNDOGRJ-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SLK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 300.75, ALogP 3.54, HBA 2, HBD 3, PSA 69.81, QED 0.69
Compound (SMILES): C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12
InChIKey: HDRLAVNNWSHSOA-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 277.32, ALogP 4.12, HBA 3, HBD 1, PSA 45.73, QED 0.44
Compound (SMILES): Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2OCC(C)C
InChIKey: DNUARRYUJCTBON-UHFFFAOYSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ACK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 319.79, ALogP 2.93, HBA 5, HBD 0, PSA 49.05, QED 0.75
Compound (SMILES): CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1
InChIKey: HWGZXYUOXGVACR-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2X6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 415.5, ALogP 2.91, HBA 8, HBD 1, PSA 94.86, QED 0.55
Compound (SMILES): CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1
InChIKey: RTDSHUGNRVXRHN-UHFFFAOYSA-N
Target: Misshapen-like kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4C8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MINK
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 460.49, ALogP 2.18, HBA 8, HBD 4, PSA 148.33, QED 0.4
Compound (SMILES): C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
InChIKey: BKWJAKQVGHWELA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase ABL1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00519
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd = 3474 nM (pChEMBL 5.460000038146973)
Descriptors: MW 500.61, ALogP 2.89, HBA 10, HBD 2, PSA 104.34, QED 0.37
Compound (SMILES): Nc1ncnc2c1sc1ncnc(N)c12
InChIKey: IUEBPIPDFMCSTP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13188
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK3
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 218.25, ALogP 0.8, HBA 7, HBD 2, PSA 103.6, QED 0.58
Compound (SMILES): CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: ZJAHDRFLBKWZPM-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT3
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 419.51, ALogP 3.99, HBA 7, HBD 1, PSA 71.24, QED 0.49
Compound (SMILES): c1cc2cc(-c3ccc4cn[nH]c4c3)cnc2[nH]1
InChIKey: ZLVOTRRGLSDLPF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 234.26, ALogP 3.11, HBA 2, HBD 2, PSA 57.36, QED 0.53
Compound (SMILES): O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1
InChIKey: GKQJYCBMMCLAOZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase ABL1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00519
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ABL1
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 405.24, ALogP 4.97, HBA 3, HBD 2, PSA 91.27, QED 0.47
Compound (SMILES): Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12
InChIKey: RWEHAHIEUDLKGT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase N2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PKN2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 439.34, ALogP 5.95, HBA 4, HBD 3, PSA 80.04, QED 0.37
Compound (SMILES): COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VGNKOJURPOHWJF-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCP0
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 347.42, ALogP 3.19, HBA 4, HBD 2, PSA 77.24, QED 0.72
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1
InChIKey: CSMDANWISUYBHA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK3 (SINGLE PROTEIN), Homo sapiens
UniProt: P52333
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK3
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 388.5, ALogP 5.81, HBA 4, HBD 3, PSA 80.04, QED 0.41
Compound (SMILES): Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1
InChIKey: SBWCIJOOABLPME-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P50613
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK7
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 402.45, ALogP 3.93, HBA 7, HBD 2, PSA 95.42, QED 0.53
Compound (SMILES): CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12
InChIKey: TVLFEDKEAOXRCZ-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IW41
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK5
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 281.36, ALogP 3.41, HBA 3, HBD 2, PSA 61.8, QED 0.77
Compound (SMILES): O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12
InChIKey: GHAZVJQMLWOQLP-UHFFFAOYSA-N
Target: Protein kinase C delta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05655
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCD
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 333.27, ALogP 3.69, HBA 4, HBD 2, PSA 79.8, QED 0.75
Compound (SMILES): CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIKey: QKFXSCNWJZKJSJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 410.38, ALogP 3.29, HBA 8, HBD 1, PSA 93.75, QED 0.49
Compound (SMILES): COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C
InChIKey: NRZYTPAJGVTKIM-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P45983
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK8
Measurement: Ki = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 416.44, ALogP 3.72, HBA 7, HBD 3, PSA 123.64, QED 0.44
Compound (SMILES): Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12
InChIKey: FFCFHBVSGILIJY-UHFFFAOYSA-N
Target: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 532.48, ALogP 6.04, HBA 7, HBD 3, PSA 115.8, QED 0.26
Compound (SMILES): O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: SYSUZXPGQXEWCZ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRC
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 288.35, ALogP 3.68, HBA 2, HBD 1, PSA 41.99, QED 0.8
Compound (SMILES): CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F
InChIKey: HZPACYSNLOCDLW-UHFFFAOYSA-N
Target: Aurora kinase B (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GD4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK12
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 358.38, ALogP 4, HBA 6, HBD 1, PSA 79.42, QED 0.6
Compound (SMILES): COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1
InChIKey: ULMCFLZUGRSEQA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P45984
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK9
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 500.58, ALogP 5.05, HBA 8, HBD 4, PSA 127.32, QED 0.25
Compound (SMILES): CCCC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIKey: RVSKJUNTDGBSSS-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P45984
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK9
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 360.42, ALogP 3.61, HBA 5, HBD 2, PSA 88.49, QED 0.55
Compound (SMILES): O=C1Nc2ccccc2Nc2nnc(I)cc21
InChIKey: IFQICUARAXVEIQ-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3A
Measurement: Ki = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 338.11, ALogP 2.39, HBA 4, HBD 2, PSA 66.91, QED 0.72
Compound (SMILES): CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12
InChIKey: BJJHHKOPTKQUFQ-UHFFFAOYSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCI
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 380.4, ALogP 4, HBA 6, HBD 0, PSA 60.9, QED 0.54
Compound (SMILES): CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)c(F)c3n21
InChIKey: BJABYARMBVPDHZ-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2D
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 381.4, ALogP 2.18, HBA 6, HBD 2, PSA 88.56, QED 0.83
Compound (SMILES): CC(C)(C)c1cc(NC(=O)C(=O)c2cccc3ccccc23)n(-c2ccc(OCC(N)=O)cc2)n1
InChIKey: OUHZERPTTDHQIV-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 470.53, ALogP 4.01, HBA 6, HBD 2, PSA 116.31, QED 0.31
Compound (SMILES): CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1
InChIKey: HHSVICUMCOBRPT-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ALK
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 275.31, ALogP 2.79, HBA 3, HBD 2, PSA 57.78, QED 0.76
Compound (SMILES): O=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]ncc12
InChIKey: QIXBPDJPNDOGRJ-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAZ1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4
Measurement: Ki = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 300.75, ALogP 3.54, HBA 2, HBD 3, PSA 69.81, QED 0.69
Compound (SMILES): C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12
InChIKey: HDRLAVNNWSHSOA-UHFFFAOYSA-N
Target: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 277.32, ALogP 4.12, HBA 3, HBD 1, PSA 45.73, QED 0.44
Compound (SMILES): Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2OCC(C)C
InChIKey: DNUARRYUJCTBON-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28482
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 319.79, ALogP 2.93, HBA 5, HBD 0, PSA 49.05, QED 0.75
Compound (SMILES): CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1
InChIKey: HWGZXYUOXGVACR-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IGF1R
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 415.5, ALogP 2.91, HBA 8, HBD 1, PSA 94.86, QED 0.55
Compound (SMILES): CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1
InChIKey: RTDSHUGNRVXRHN-UHFFFAOYSA-N
Target: Death-associated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43293
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3
Measurement: Ki = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 460.49, ALogP 2.18, HBA 8, HBD 4, PSA 148.33, QED 0.4
Compound (SMILES): C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
InChIKey: BKWJAKQVGHWELA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase ABL2 (SINGLE PROTEIN), Homo sapiens
UniProt: P42684
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 500.61, ALogP 2.89, HBA 10, HBD 2, PSA 104.34, QED 0.37
Compound (SMILES): Nc1ncnc2c1sc1ncnc(N)c12
InChIKey: IUEBPIPDFMCSTP-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK2
Measurement: Ki = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 218.25, ALogP 0.8, HBA 7, HBD 2, PSA 103.6, QED 0.58
Compound (SMILES): CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: ZJAHDRFLBKWZPM-UHFFFAOYSA-N
Target: Misshapen-like kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4C8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MINK
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 419.51, ALogP 3.99, HBA 7, HBD 1, PSA 71.24, QED 0.49
Compound (SMILES): c1cc2cc(-c3ccc4cn[nH]c4c3)cnc2[nH]1
InChIKey: ZLVOTRRGLSDLPF-UHFFFAOYSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCI
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 234.26, ALogP 3.11, HBA 2, HBD 2, PSA 57.36, QED 0.53
Compound (SMILES): O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1
InChIKey: GKQJYCBMMCLAOZ-UHFFFAOYSA-N
Target: Death-associated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43293
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 405.24, ALogP 4.97, HBA 3, HBD 2, PSA 91.27, QED 0.47
Compound (SMILES): Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12
InChIKey: RWEHAHIEUDLKGT-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16644
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 439.34, ALogP 5.95, HBA 4, HBD 3, PSA 80.04, QED 0.37
Compound (SMILES): COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VGNKOJURPOHWJF-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRC
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 347.42, ALogP 3.19, HBA 4, HBD 2, PSA 77.24, QED 0.72
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1
InChIKey: CSMDANWISUYBHA-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16644
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 388.5, ALogP 5.81, HBA 4, HBD 3, PSA 80.04, QED 0.41
Compound (SMILES): Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1
InChIKey: SBWCIJOOABLPME-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKE
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 402.45, ALogP 3.93, HBA 7, HBD 2, PSA 95.42, QED 0.53
Compound (SMILES): CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12
InChIKey: TVLFEDKEAOXRCZ-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11362
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR1
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 281.36, ALogP 3.41, HBA 3, HBD 2, PSA 61.8, QED 0.77
Compound (SMILES): O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12
InChIKey: GHAZVJQMLWOQLP-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2X6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK2
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 333.27, ALogP 3.69, HBA 4, HBD 2, PSA 79.8, QED 0.75
Compound (SMILES): CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIKey: QKFXSCNWJZKJSJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 410.38, ALogP 3.29, HBA 8, HBD 1, PSA 93.75, QED 0.49
Compound (SMILES): COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C
InChIKey: NRZYTPAJGVTKIM-UHFFFAOYSA-N
Target: Insulin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06213
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: INSR
Measurement: Ki = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 416.44, ALogP 3.72, HBA 7, HBD 3, PSA 123.64, QED 0.44
Compound (SMILES): Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12
InChIKey: FFCFHBVSGILIJY-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P50613
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK7
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 532.48, ALogP 6.04, HBA 7, HBD 3, PSA 115.8, QED 0.26
Compound (SMILES): O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: SYSUZXPGQXEWCZ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 288.35, ALogP 3.68, HBA 2, HBD 1, PSA 41.99, QED 0.8
Compound (SMILES): CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F
InChIKey: HZPACYSNLOCDLW-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT3
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 358.38, ALogP 4, HBA 6, HBD 1, PSA 79.42, QED 0.6
Compound (SMILES): COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1
InChIKey: ULMCFLZUGRSEQA-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase ROS (SINGLE PROTEIN), Homo sapiens
UniProt: P08922
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROS1
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 500.58, ALogP 5.05, HBA 8, HBD 4, PSA 127.32, QED 0.25
Compound (SMILES): CCCC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIKey: RVSKJUNTDGBSSS-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT3
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 360.42, ALogP 3.61, HBA 5, HBD 2, PSA 88.49, QED 0.55
Compound (SMILES): O=C1Nc2ccccc2Nc2nnc(I)cc21
InChIKey: IFQICUARAXVEIQ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00535
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5
Measurement: Ki = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 338.11, ALogP 2.39, HBA 4, HBD 2, PSA 66.91, QED 0.72
Compound (SMILES): CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12
InChIKey: BJJHHKOPTKQUFQ-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2D
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 380.4, ALogP 4, HBA 6, HBD 0, PSA 60.9, QED 0.54
Compound (SMILES): CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)c(F)c3n21
InChIKey: BJABYARMBVPDHZ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 381.4, ALogP 2.18, HBA 6, HBD 2, PSA 88.56, QED 0.83
Compound (SMILES): CC(C)(C)c1cc(NC(=O)C(=O)c2cccc3ccccc23)n(-c2ccc(OCC(N)=O)cc2)n1
InChIKey: OUHZERPTTDHQIV-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P16234
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDGFRA
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 470.53, ALogP 4.01, HBA 6, HBD 2, PSA 116.31, QED 0.31
Compound (SMILES): CNC(=O)c1cc2c(-c3ccccc3F)n[nH]c2s1
InChIKey: HHSVICUMCOBRPT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: Q13555
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2G
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 275.31, ALogP 2.79, HBA 3, HBD 2, PSA 57.78, QED 0.76
Compound (SMILES): O=C(NCc1ccc(Cl)cc1)Nc1cccc2[nH]ncc12
InChIKey: QIXBPDJPNDOGRJ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4K4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K5
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 300.75, ALogP 3.54, HBA 2, HBD 3, PSA 69.81, QED 0.69
Compound (SMILES): C=CCc1cccc2c(=NO)cc(-c3ccccc3)oc12
InChIKey: HDRLAVNNWSHSOA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P50613
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK7
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 277.32, ALogP 4.12, HBA 3, HBD 1, PSA 45.73, QED 0.44
Compound (SMILES): Cc1nn(C)c2c1c(=O)c1cc(Cl)ccc1n2OCC(C)C
InChIKey: DNUARRYUJCTBON-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWZ3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK4
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 319.79, ALogP 2.93, HBA 5, HBD 0, PSA 49.05, QED 0.75
Compound (SMILES): CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1
InChIKey: HWGZXYUOXGVACR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BTK
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 415.5, ALogP 2.91, HBA 8, HBD 1, PSA 94.86, QED 0.55
Compound (SMILES): CNC(=O)COc1ccc(Nc2nc(Nc3ccc(C)c(S(N)(=O)=O)c3)ncc2F)cc1
InChIKey: RTDSHUGNRVXRHN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4
Measurement: Ki = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 460.49, ALogP 2.18, HBA 8, HBD 4, PSA 148.33, QED 0.4
Compound (SMILES): C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1
InChIKey: BKWJAKQVGHWELA-UHFFFAOYSA-N
Target: Acyl-CoA dehydrogenase family member 10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6JQN1
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 500.61, ALogP 2.89, HBA 10, HBD 2, PSA 104.34, QED 0.37
Compound (SMILES): Nc1ncnc2c1sc1ncnc(N)c12
InChIKey: IUEBPIPDFMCSTP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MRCK alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q5VT25
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC42BPA
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 218.25, ALogP 0.8, HBA 7, HBD 2, PSA 103.6, QED 0.58
Compound (SMILES): CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: ZJAHDRFLBKWZPM-UHFFFAOYSA-N
Target: Death-associated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43293
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 419.51, ALogP 3.99, HBA 7, HBD 1, PSA 71.24, QED 0.49
Compound (SMILES): c1cc2cc(-c3ccc4cn[nH]c4c3)cnc2[nH]1
InChIKey: ZLVOTRRGLSDLPF-UHFFFAOYSA-N
Target: Rho-associated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75116
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK2
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 234.26, ALogP 3.11, HBA 2, HBD 2, PSA 57.36, QED 0.53
Compound (SMILES): O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCc2[nH]c3c(Cl)cc(Cl)cc3c2C1
InChIKey: GKQJYCBMMCLAOZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 405.24, ALogP 4.97, HBA 3, HBD 2, PSA 91.27, QED 0.47
Compound (SMILES): Nc1nccc2scc(-c3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c12
InChIKey: RWEHAHIEUDLKGT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13554
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2B
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 439.34, ALogP 5.95, HBA 4, HBD 3, PSA 80.04, QED 0.37
Compound (SMILES): COc1cccc(C(CN)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VGNKOJURPOHWJF-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 347.42, ALogP 3.19, HBA 4, HBD 2, PSA 77.24, QED 0.72
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1
InChIKey: CSMDANWISUYBHA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 388.5, ALogP 5.81, HBA 4, HBD 3, PSA 80.04, QED 0.41
Compound (SMILES): Nc1ncnc2c1c(-c1ccc(Oc3ccc(CO)cc3)cc1)cn2C1CCOC1
InChIKey: SBWCIJOOABLPME-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 402.45, ALogP 3.93, HBA 7, HBD 2, PSA 95.42, QED 0.53
Compound (SMILES): CCc1c(-c2ccc(C(C)(C)O)cc2)[nH]c2nccnc12
InChIKey: TVLFEDKEAOXRCZ-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3A
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 281.36, ALogP 3.41, HBA 3, HBD 2, PSA 61.8, QED 0.77
Compound (SMILES): O=C(Nc1cnccn1)Nc1ccnc2ccc(C(F)(F)F)cc12
InChIKey: GHAZVJQMLWOQLP-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 333.27, ALogP 3.69, HBA 4, HBD 2, PSA 79.8, QED 0.75
Compound (SMILES): CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIKey: QKFXSCNWJZKJSJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 17A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UEE5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK17A
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 410.38, ALogP 3.29, HBA 8, HBD 1, PSA 93.75, QED 0.49
Compound (SMILES): COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C
InChIKey: NRZYTPAJGVTKIM-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EGFR
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 416.44, ALogP 3.72, HBA 7, HBD 3, PSA 123.64, QED 0.44
Compound (SMILES): Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2c(-c3ccc4c(c3)OCO4)cnn12
InChIKey: FFCFHBVSGILIJY-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKE
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 532.48, ALogP 6.04, HBA 7, HBD 3, PSA 115.8, QED 0.26
Compound (SMILES): O=C(NCc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: SYSUZXPGQXEWCZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 17A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UEE5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK17A
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 288.35, ALogP 3.68, HBA 2, HBD 1, PSA 41.99, QED 0.8
Compound (SMILES): CC(Nc1cncc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1F
InChIKey: HZPACYSNLOCDLW-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TYRO3
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 358.38, ALogP 4, HBA 6, HBD 1, PSA 79.42, QED 0.6
Compound (SMILES): COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1
InChIKey: ULMCFLZUGRSEQA-UHFFFAOYSA-N
Target: Misshapen-like kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4C8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MINK
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 500.58, ALogP 5.05, HBA 8, HBD 4, PSA 127.32, QED 0.25
Compound (SMILES): CCCC(=O)Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12
InChIKey: RVSKJUNTDGBSSS-UHFFFAOYSA-N
Target: Tyrosine-protein kinase ABL1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00519
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ABL1
Measurement: Ki > 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 360.42, ALogP 3.61, HBA 5, HBD 2, PSA 88.49, QED 0.55
Compound (SMILES): O=C1Nc2ccccc2Nc2nnc(I)cc21
InChIKey: IFQICUARAXVEIQ-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 338.11, ALogP 2.39, HBA 4, HBD 2, PSA 66.91, QED 0.72
Compound (SMILES): CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12
InChIKey: BJJHHKOPTKQUFQ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 380.4, ALogP 4, HBA 6, HBD 0, PSA 60.9, QED 0.54