lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)C1=O
InChIKey: JBRASADWXDKCLJ-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 411.89, ALogP 5.87, HBA 3, HBD 0, PSA 57.93, QED 0.4
Compound (SMILES): CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1
InChIKey: MIKAKZKNMYZLDX-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 331.4, ALogP 1.7, HBA 4, HBD 1, PSA 74.65, QED 0.79
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21
InChIKey: YXUQWISLOFXNGN-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 352.2, ALogP 3.75, HBA 4, HBD 1, PSA 70.29, QED 0.57
Compound (SMILES): COc1cccc(C(C)NC(=O)c2sc(-c3ccncc3)nc2C)c1
InChIKey: ASMBMGMEQLFISS-UHFFFAOYSA-N
Target: NT-3 growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16288
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK3
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 353.45, ALogP 4.01, HBA 5, HBD 1, PSA 64.11, QED 0.75
Compound (SMILES): O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIKey: WKEYMNLZBZKLOG-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 340.39, ALogP 4.22, HBA 3, HBD 3, PSA 69.81, QED 0.52
Compound (SMILES): COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12
InChIKey: ACNCCUVYXQGPKZ-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 406.42, ALogP 5.18, HBA 5, HBD 3, PSA 102.41, QED 0.43
Compound (SMILES): COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1
InChIKey: SZALFSTUDMTGGL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase SYK (SINGLE PROTEIN), Homo sapiens
UniProt: P43405
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SYK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 362.31, ALogP 4.3, HBA 4, HBD 2, PSA 76.14, QED 0.73
Compound (SMILES): O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O
InChIKey: GQHMZZXJWGPHDA-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 347.3, ALogP 3.05, HBA 5, HBD 2, PSA 71.09, QED 0.69
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1I)C(C#N)=C(N)O2
InChIKey: FQBWBTKXLRVHDG-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 378.17, ALogP 2.54, HBA 4, HBD 2, PSA 87.72, QED 0.75
Compound (SMILES): Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21
InChIKey: SJDGHXXYFFXVPE-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase alpha-5 (SINGLE PROTEIN), Homo sapiens
UniProt: O75582
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA5
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 354.46, ALogP 4.23, HBA 4, HBD 1, PSA 56.73, QED 0.58
Compound (SMILES): CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12
InChIKey: OWFXKTOLFUQPDJ-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 449.51, ALogP 5.08, HBA 5, HBD 4, PSA 109.14, QED 0.34
Compound (SMILES): O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3[nH]ncc3c2)c1=O
InChIKey: LOCWELCIOZHZHE-UHFFFAOYSA-N
Target: RAC-gamma serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y243
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 387.23, ALogP 3.82, HBA 5, HBD 3, PSA 86.88, QED 0.45
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1
InChIKey: GSXRCPJTNIGKSZ-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 455.59, ALogP 5.59, HBA 5, HBD 4, PSA 106.06, QED 0.3
Compound (SMILES): CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1
InChIKey: UVLOSTAZXZSNCP-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 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 434.94, ALogP 4.25, HBA 7, HBD 3, PSA 85, QED 0.43
Compound (SMILES): Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nc[nH]n3)cc12
InChIKey: JLRRNFYWQUCREK-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 345.41, ALogP 3.68, HBA 4, HBD 2, PSA 75.6, QED 0.59
Compound (SMILES): CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: DADQIQQXJSXLAV-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 484.6, ALogP 5, HBA 5, HBD 3, PSA 105.28, QED 0.36
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1
InChIKey: DILZQOYOWSNWDQ-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 > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 466.55, ALogP 5.22, HBA 5, HBD 3, PSA 111.84, QED 0.35
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1
InChIKey: NRGYZNJPCGRCLV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MARK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZI7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK2
Measurement: Ki = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 455.59, ALogP 5.41, HBA 5, HBD 3, PSA 83.28, QED 0.36
Compound (SMILES): CCCC(=O)Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12
InChIKey: BQWACEUCYSZDBQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek4 (SINGLE PROTEIN), Homo sapiens
UniProt: P51957
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK4
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 317.3, ALogP 3.04, HBA 4, HBD 2, PSA 83.56, QED 0.77
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12
InChIKey: FBWWNLBZZFVRQY-UHFFFAOYSA-N
Target: Mast/stem cell growth factor receptor Kit (SINGLE PROTEIN), Homo sapiens
UniProt: P10721
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KIT
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 400.28, ALogP 5.31, HBA 3, HBD 2, PSA 66.91, QED 0.57
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1
InChIKey: QPORZABOFXPRHM-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 > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 418.48, ALogP 4.48, HBA 6, HBD 4, PSA 122.03, QED 0.39
Compound (SMILES): c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIKey: CQXFMKMVOOUGSS-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 327.39, ALogP 4.95, HBA 4, HBD 1, PSA 47.04, QED 0.56
Compound (SMILES): CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1
InChIKey: OBHMNLIBIPFXCY-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 490.55, ALogP 4.17, HBA 8, HBD 2, PSA 144.35, QED 0.22
Compound (SMILES): NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O
InChIKey: PJPRVHYLYNCEGA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK2
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 293.33, ALogP 2.45, HBA 6, HBD 3, PSA 96.95, QED 0.64
Compound (SMILES): Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIKey: WPHKIQPVPYJNAX-UHFFFAOYSA-N
Target: cGMP-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13976
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKG1
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 488.55, ALogP 5.18, HBA 7, HBD 4, PSA 118.09, QED 0.26
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1
InChIKey: VSVWQTDDGQSGHP-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 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 525.72, ALogP 7.54, HBA 5, HBD 4, PSA 106.06, QED 0.13
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21
InChIKey: BKBCSMDCCAWWNC-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 327.19, ALogP 3.88, HBA 3, HBD 1, PSA 46.5, QED 0.58
Compound (SMILES): NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1
InChIKey: VTQQYBGURNVVFE-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P50750
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9
Measurement: Ki = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 333.21, ALogP 3.82, HBA 3, HBD 1, PSA 55.98, QED 0.77
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: YPDWGKSFVMASOZ-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit PRKX (SINGLE PROTEIN), Homo sapiens
UniProt: P51817
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKX
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 424.46, ALogP 4.01, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCCOCCO)c2)n1
InChIKey: KUVNSIJSYBSMJX-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1D (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IU85
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1D
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 515.61, ALogP 4.71, HBA 6, HBD 4, PSA 117.51, QED 0.24
Compound (SMILES): N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)C1=O
InChIKey: JBRASADWXDKCLJ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P50750
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 411.89, ALogP 5.87, HBA 3, HBD 0, PSA 57.93, QED 0.4
Compound (SMILES): CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1
InChIKey: MIKAKZKNMYZLDX-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 331.4, ALogP 1.7, HBA 4, HBD 1, PSA 74.65, QED 0.79
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21
InChIKey: YXUQWISLOFXNGN-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P50750
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 352.2, ALogP 3.75, HBA 4, HBD 1, PSA 70.29, QED 0.57
Compound (SMILES): COc1cccc(C(C)NC(=O)c2sc(-c3ccncc3)nc2C)c1
InChIKey: ASMBMGMEQLFISS-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 353.45, ALogP 4.01, HBA 5, HBD 1, PSA 64.11, QED 0.75
Compound (SMILES): O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIKey: WKEYMNLZBZKLOG-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 340.39, ALogP 4.22, HBA 3, HBD 3, PSA 69.81, QED 0.52
Compound (SMILES): COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12
InChIKey: ACNCCUVYXQGPKZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AXL
Measurement: Ki = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 406.42, ALogP 5.18, HBA 5, HBD 3, PSA 102.41, QED 0.43
Compound (SMILES): COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1
InChIKey: SZALFSTUDMTGGL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 362.31, ALogP 4.3, HBA 4, HBD 2, PSA 76.14, QED 0.73
Compound (SMILES): O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O
InChIKey: GQHMZZXJWGPHDA-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51617
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 347.3, ALogP 3.05, HBA 5, HBD 2, PSA 71.09, QED 0.69
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1I)C(C#N)=C(N)O2
InChIKey: FQBWBTKXLRVHDG-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 378.17, ALogP 2.54, HBA 4, HBD 2, PSA 87.72, QED 0.75
Compound (SMILES): Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21
InChIKey: SJDGHXXYFFXVPE-UHFFFAOYSA-N
Target: LIM domain kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53667
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LIMK1
Measurement: Ki = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 354.46, ALogP 4.23, HBA 4, HBD 1, PSA 56.73, QED 0.58
Compound (SMILES): CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12
InChIKey: OWFXKTOLFUQPDJ-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 > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 449.51, ALogP 5.08, HBA 5, HBD 4, PSA 109.14, QED 0.34
Compound (SMILES): O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3[nH]ncc3c2)c1=O
InChIKey: LOCWELCIOZHZHE-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 387.23, ALogP 3.82, HBA 5, HBD 3, PSA 86.88, QED 0.45
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1
InChIKey: GSXRCPJTNIGKSZ-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 455.59, ALogP 5.59, HBA 5, HBD 4, PSA 106.06, QED 0.3
Compound (SMILES): CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1
InChIKey: UVLOSTAZXZSNCP-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 434.94, ALogP 4.25, HBA 7, HBD 3, PSA 85, QED 0.43
Compound (SMILES): Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nc[nH]n3)cc12
InChIKey: JLRRNFYWQUCREK-UHFFFAOYSA-N
Target: RAC-gamma serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y243
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT3
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 345.41, ALogP 3.68, HBA 4, HBD 2, PSA 75.6, QED 0.59
Compound (SMILES): CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: DADQIQQXJSXLAV-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 484.6, ALogP 5, HBA 5, HBD 3, PSA 105.28, QED 0.36
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1
InChIKey: DILZQOYOWSNWDQ-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 466.55, ALogP 5.22, HBA 5, HBD 3, PSA 111.84, QED 0.35
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1
InChIKey: NRGYZNJPCGRCLV-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 455.59, ALogP 5.41, HBA 5, HBD 3, PSA 83.28, QED 0.36
Compound (SMILES): CCCC(=O)Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12
InChIKey: BQWACEUCYSZDBQ-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13882
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK6
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 317.3, ALogP 3.04, HBA 4, HBD 2, PSA 83.56, QED 0.77
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12
InChIKey: FBWWNLBZZFVRQY-UHFFFAOYSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 400.28, ALogP 5.31, HBA 3, HBD 2, PSA 66.91, QED 0.57
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1
InChIKey: QPORZABOFXPRHM-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 418.48, ALogP 4.48, HBA 6, HBD 4, PSA 122.03, QED 0.39
Compound (SMILES): c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIKey: CQXFMKMVOOUGSS-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 327.39, ALogP 4.95, HBA 4, HBD 1, PSA 47.04, QED 0.56
Compound (SMILES): CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1
InChIKey: OBHMNLIBIPFXCY-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 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 490.55, ALogP 4.17, HBA 8, HBD 2, PSA 144.35, QED 0.22
Compound (SMILES): NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O
InChIKey: PJPRVHYLYNCEGA-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 293.33, ALogP 2.45, HBA 6, HBD 3, PSA 96.95, QED 0.64
Compound (SMILES): Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIKey: WPHKIQPVPYJNAX-UHFFFAOYSA-N
Target: cGMP-dependent protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13237
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKG2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 488.55, ALogP 5.18, HBA 7, HBD 4, PSA 118.09, QED 0.26
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1
InChIKey: VSVWQTDDGQSGHP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase SIK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0K1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SIK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 525.72, ALogP 7.54, HBA 5, HBD 4, PSA 106.06, QED 0.13
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21
InChIKey: BKBCSMDCCAWWNC-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 327.19, ALogP 3.88, HBA 3, HBD 1, PSA 46.5, QED 0.58
Compound (SMILES): NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1
InChIKey: VTQQYBGURNVVFE-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 333.21, ALogP 3.82, HBA 3, HBD 1, PSA 55.98, QED 0.77
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: YPDWGKSFVMASOZ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 424.46, ALogP 4.01, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCCOCCO)c2)n1
InChIKey: KUVNSIJSYBSMJX-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 515.61, ALogP 4.71, HBA 6, HBD 4, PSA 117.51, QED 0.24
Compound (SMILES): N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)C1=O
InChIKey: JBRASADWXDKCLJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 411.89, ALogP 5.87, HBA 3, HBD 0, PSA 57.93, QED 0.4
Compound (SMILES): CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1
InChIKey: MIKAKZKNMYZLDX-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 331.4, ALogP 1.7, HBA 4, HBD 1, PSA 74.65, QED 0.79
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21
InChIKey: YXUQWISLOFXNGN-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 352.2, ALogP 3.75, HBA 4, HBD 1, PSA 70.29, QED 0.57
Compound (SMILES): COc1cccc(C(C)NC(=O)c2sc(-c3ccncc3)nc2C)c1
InChIKey: ASMBMGMEQLFISS-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P50750
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 353.45, ALogP 4.01, HBA 5, HBD 1, PSA 64.11, QED 0.75
Compound (SMILES): O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIKey: WKEYMNLZBZKLOG-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 340.39, ALogP 4.22, HBA 3, HBD 3, PSA 69.81, QED 0.52
Compound (SMILES): COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12
InChIKey: ACNCCUVYXQGPKZ-UHFFFAOYSA-N
Target: RAC-gamma serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y243
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 406.42, ALogP 5.18, HBA 5, HBD 3, PSA 102.41, QED 0.43
Compound (SMILES): COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1
InChIKey: SZALFSTUDMTGGL-UHFFFAOYSA-N
Target: RAC-gamma serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y243
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 362.31, ALogP 4.3, HBA 4, HBD 2, PSA 76.14, QED 0.73
Compound (SMILES): O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O
InChIKey: GQHMZZXJWGPHDA-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 347.3, ALogP 3.05, HBA 5, HBD 2, PSA 71.09, QED 0.69
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1I)C(C#N)=C(N)O2
InChIKey: FQBWBTKXLRVHDG-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 378.17, ALogP 2.54, HBA 4, HBD 2, PSA 87.72, QED 0.75
Compound (SMILES): Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21
InChIKey: SJDGHXXYFFXVPE-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Srms (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3Y6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRMS
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 354.46, ALogP 4.23, HBA 4, HBD 1, PSA 56.73, QED 0.58
Compound (SMILES): CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12
InChIKey: OWFXKTOLFUQPDJ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AXL
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 449.51, ALogP 5.08, HBA 5, HBD 4, PSA 109.14, QED 0.34
Compound (SMILES): O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3[nH]ncc3c2)c1=O
InChIKey: LOCWELCIOZHZHE-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 = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 387.23, ALogP 3.82, HBA 5, HBD 3, PSA 86.88, QED 0.45
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1
InChIKey: GSXRCPJTNIGKSZ-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 455.59, ALogP 5.59, HBA 5, HBD 4, PSA 106.06, QED 0.3
Compound (SMILES): CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1
InChIKey: UVLOSTAZXZSNCP-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 434.94, ALogP 4.25, HBA 7, HBD 3, PSA 85, QED 0.43
Compound (SMILES): Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nc[nH]n3)cc12
InChIKey: JLRRNFYWQUCREK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00444
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK4
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 345.41, ALogP 3.68, HBA 4, HBD 2, PSA 75.6, QED 0.59
Compound (SMILES): CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: DADQIQQXJSXLAV-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 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 484.6, ALogP 5, HBA 5, HBD 3, PSA 105.28, QED 0.36
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1
InChIKey: DILZQOYOWSNWDQ-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 466.55, ALogP 5.22, HBA 5, HBD 3, PSA 111.84, QED 0.35
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1
InChIKey: NRGYZNJPCGRCLV-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 455.59, ALogP 5.41, HBA 5, HBD 3, PSA 83.28, QED 0.36
Compound (SMILES): CCCC(=O)Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12
InChIKey: BQWACEUCYSZDBQ-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 317.3, ALogP 3.04, HBA 4, HBD 2, PSA 83.56, QED 0.77
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12
InChIKey: FBWWNLBZZFVRQY-UHFFFAOYSA-N
Target: MAP/microtubule affinity-regulating kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P27448
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK3
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 400.28, ALogP 5.31, HBA 3, HBD 2, PSA 66.91, QED 0.57
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1
InChIKey: QPORZABOFXPRHM-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2
Measurement: Ki = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 418.48, ALogP 4.48, HBA 6, HBD 4, PSA 122.03, QED 0.39
Compound (SMILES): c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIKey: CQXFMKMVOOUGSS-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51617
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 327.39, ALogP 4.95, HBA 4, HBD 1, PSA 47.04, QED 0.56
Compound (SMILES): CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1
InChIKey: OBHMNLIBIPFXCY-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 490.55, ALogP 4.17, HBA 8, HBD 2, PSA 144.35, QED 0.22
Compound (SMILES): NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O
InChIKey: PJPRVHYLYNCEGA-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 293.33, ALogP 2.45, HBA 6, HBD 3, PSA 96.95, QED 0.64
Compound (SMILES): Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIKey: WPHKIQPVPYJNAX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZL6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKD2
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 488.55, ALogP 5.18, HBA 7, HBD 4, PSA 118.09, QED 0.26
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21
InChIKey: BKBCSMDCCAWWNC-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 > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 327.19, ALogP 3.88, HBA 3, HBD 1, PSA 46.5, QED 0.58
Compound (SMILES): NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1
InChIKey: VTQQYBGURNVVFE-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 333.21, ALogP 3.82, HBA 3, HBD 1, PSA 55.98, QED 0.77
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: YPDWGKSFVMASOZ-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 424.46, ALogP 4.01, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)C1=O
InChIKey: JBRASADWXDKCLJ-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 411.89, ALogP 5.87, HBA 3, HBD 0, PSA 57.93, QED 0.4
Compound (SMILES): CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1
InChIKey: MIKAKZKNMYZLDX-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 331.4, ALogP 1.7, HBA 4, HBD 1, PSA 74.65, QED 0.79
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21
InChIKey: YXUQWISLOFXNGN-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 > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 352.2, ALogP 3.75, HBA 4, HBD 1, PSA 70.29, QED 0.57
Compound (SMILES): COc1cccc(C(C)NC(=O)c2sc(-c3ccncc3)nc2C)c1
InChIKey: ASMBMGMEQLFISS-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 353.45, ALogP 4.01, HBA 5, HBD 1, PSA 64.11, QED 0.75
Compound (SMILES): O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIKey: WKEYMNLZBZKLOG-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 340.39, ALogP 4.22, HBA 3, HBD 3, PSA 69.81, QED 0.52
Compound (SMILES): COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12
InChIKey: ACNCCUVYXQGPKZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00444
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 406.42, ALogP 5.18, HBA 5, HBD 3, PSA 102.41, QED 0.43
Compound (SMILES): COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1
InChIKey: SZALFSTUDMTGGL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00444
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 362.31, ALogP 4.3, HBA 4, HBD 2, PSA 76.14, QED 0.73
Compound (SMILES): O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O
InChIKey: GQHMZZXJWGPHDA-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 347.3, ALogP 3.05, HBA 5, HBD 2, PSA 71.09, QED 0.69
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1I)C(C#N)=C(N)O2
InChIKey: FQBWBTKXLRVHDG-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12851
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K2
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 378.17, ALogP 2.54, HBA 4, HBD 2, PSA 87.72, QED 0.75
Compound (SMILES): Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21
InChIKey: SJDGHXXYFFXVPE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 354.46, ALogP 4.23, HBA 4, HBD 1, PSA 56.73, QED 0.58
Compound (SMILES): CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12
InChIKey: OWFXKTOLFUQPDJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00444
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK4
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 449.51, ALogP 5.08, HBA 5, HBD 4, PSA 109.14, QED 0.34
Compound (SMILES): O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3[nH]ncc3c2)c1=O
InChIKey: LOCWELCIOZHZHE-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 = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 387.23, ALogP 3.82, HBA 5, HBD 3, PSA 86.88, QED 0.45
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1
InChIKey: GSXRCPJTNIGKSZ-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P04626
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ERBB2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 455.59, ALogP 5.59, HBA 5, HBD 4, PSA 106.06, QED 0.3
Compound (SMILES): CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1
InChIKey: UVLOSTAZXZSNCP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK2
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 434.94, ALogP 4.25, HBA 7, HBD 3, PSA 85, QED 0.43
Compound (SMILES): Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nc[nH]n3)cc12
InChIKey: JLRRNFYWQUCREK-UHFFFAOYSA-N
Target: Protein kinase C zeta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCZ
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 345.41, ALogP 3.68, HBA 4, HBD 2, PSA 75.6, QED 0.59
Compound (SMILES): CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: DADQIQQXJSXLAV-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 = 0.7943 nM (pChEMBL 9.100000381469727)
Descriptors: MW 484.6, ALogP 5, HBA 5, HBD 3, PSA 105.28, QED 0.36
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1
InChIKey: DILZQOYOWSNWDQ-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 466.55, ALogP 5.22, HBA 5, HBD 3, PSA 111.84, QED 0.35
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1
InChIKey: NRGYZNJPCGRCLV-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 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 455.59, ALogP 5.41, HBA 5, HBD 3, PSA 83.28, QED 0.36
Compound (SMILES): CCCC(=O)Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12
InChIKey: BQWACEUCYSZDBQ-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 317.3, ALogP 3.04, HBA 4, HBD 2, PSA 83.56, QED 0.77
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12
InChIKey: FBWWNLBZZFVRQY-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase 20 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYL2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ZAK
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 400.28, ALogP 5.31, HBA 3, HBD 2, PSA 66.91, QED 0.57
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1
InChIKey: QPORZABOFXPRHM-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51617
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 418.48, ALogP 4.48, HBA 6, HBD 4, PSA 122.03, QED 0.39
Compound (SMILES): c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIKey: CQXFMKMVOOUGSS-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 > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 327.39, ALogP 4.95, HBA 4, HBD 1, PSA 47.04, QED 0.56
Compound (SMILES): CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1
InChIKey: OBHMNLIBIPFXCY-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P17612
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 490.55, ALogP 4.17, HBA 8, HBD 2, PSA 144.35, QED 0.22
Compound (SMILES): NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O
InChIKey: PJPRVHYLYNCEGA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P50750
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9
Measurement: Ki = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 293.33, ALogP 2.45, HBA 6, HBD 3, PSA 96.95, QED 0.64
Compound (SMILES): Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIKey: WPHKIQPVPYJNAX-UHFFFAOYSA-N
Target: Tyrosine-protein kinase FRK (SINGLE PROTEIN), Homo sapiens
UniProt: P42685
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FRK
Measurement: Ki = 1.995 nM (pChEMBL 8.699999809265137)
Descriptors: MW 488.55, ALogP 5.18, HBA 7, HBD 4, PSA 118.09, QED 0.26
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1
InChIKey: VSVWQTDDGQSGHP-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 525.72, ALogP 7.54, HBA 5, HBD 4, PSA 106.06, QED 0.13
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21
InChIKey: BKBCSMDCCAWWNC-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P17612
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 327.19, ALogP 3.88, HBA 3, HBD 1, PSA 46.5, QED 0.58
Compound (SMILES): NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1
InChIKey: VTQQYBGURNVVFE-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 333.21, ALogP 3.82, HBA 3, HBD 1, PSA 55.98, QED 0.77
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: YPDWGKSFVMASOZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Srms (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3Y6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRMS
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 424.46, ALogP 4.01, HBA 7, HBD 2, PSA 88.23, QED 0.49