lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: P53778
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK12
Measurement: Ki = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-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 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1
InChIKey: AQQWWOMMPDCTLW-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15303
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ERBB4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 347.81, ALogP 5.14, HBA 2, HBD 2, PSA 57.78, QED 0.54
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96PF2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22B
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1
InChIKey: YGEACCLUBSGMMJ-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 302.38, ALogP 4.24, HBA 2, HBD 1, PSA 41.99, QED 0.78
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fer (SINGLE PROTEIN), Homo sapiens
UniProt: P16591
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FER
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fer (SINGLE PROTEIN), Homo sapiens
UniProt: P16591
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FER
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): N#Cc1ccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)nc1
InChIKey: QTTYXMRMIOCNGZ-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 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 357.3, ALogP 4.16, HBA 4, HBD 2, PSA 90.7, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-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 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1
InChIKey: UDFDIIVNIYWXDM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase DCLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15075
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DCAMKL1
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 394.44, ALogP 4.12, HBA 5, HBD 2, PSA 88.49, QED 0.47
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC
InChIKey: CZQVOIDVDAVDFW-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15303
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ERBB4
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 389.42, ALogP 3.26, HBA 7, HBD 2, PSA 103.77, QED 0.52
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-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 = 10 nM (pChEMBL 8)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1ccc(Cl)cc1
InChIKey: AQQWWOMMPDCTLW-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 347.81, ALogP 5.14, HBA 2, HBD 2, PSA 57.78, QED 0.54
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-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 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1
InChIKey: YGEACCLUBSGMMJ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35916
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT4
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 302.38, ALogP 4.24, HBA 2, HBD 1, PSA 41.99, QED 0.78
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDPK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDPK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): N#Cc1ccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)nc1
InChIKey: QTTYXMRMIOCNGZ-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 357.3, ALogP 4.16, HBA 4, HBD 2, PSA 90.7, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-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 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1
InChIKey: UDFDIIVNIYWXDM-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P22607
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR3
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 394.44, ALogP 4.12, HBA 5, HBD 2, PSA 88.49, QED 0.47
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-UHFFFAOYSA-N
Target: Eukaryotic elongation factor 2 kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00418
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EEF2K
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC
InChIKey: CZQVOIDVDAVDFW-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 > 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 389.42, ALogP 3.26, HBA 7, HBD 2, PSA 103.77, QED 0.52
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDPK1
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-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 > 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-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 > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-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 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1
InChIKey: YGEACCLUBSGMMJ-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE63
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK4
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 302.38, ALogP 4.24, HBA 2, HBD 1, PSA 41.99, QED 0.78
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-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 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): N#Cc1ccc(NC(=O)Nc2ccnc3cc(C(F)(F)F)ccc23)nc1
InChIKey: QTTYXMRMIOCNGZ-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 357.3, ALogP 4.16, HBA 4, HBD 2, PSA 90.7, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-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 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1
InChIKey: UDFDIIVNIYWXDM-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15303
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ERBB4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 394.44, ALogP 4.12, HBA 5, HBD 2, PSA 88.49, QED 0.47
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC
InChIKey: CZQVOIDVDAVDFW-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 389.42, ALogP 3.26, HBA 7, HBD 2, PSA 103.77, QED 0.52
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: P53778
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK12
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35916
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT4
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-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 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): CC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1
InChIKey: YGEACCLUBSGMMJ-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 302.38, ALogP 4.24, HBA 2, HBD 1, PSA 41.99, QED 0.78
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14012
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14012
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-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 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1
InChIKey: UDFDIIVNIYWXDM-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: Inhibition of CDC7
Measurement: Ki = 0.5012 nM (pChEMBL 9.300000190734863)
Descriptors: MW 394.44, ALogP 4.12, HBA 5, HBD 2, PSA 88.49, QED 0.47
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-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 > 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): COc1ccc(-c2cc3nccn3c(Nc3ccccc3C(N)=O)n2)cc1OC
InChIKey: CZQVOIDVDAVDFW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53350
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 389.42, ALogP 3.26, HBA 7, HBD 2, PSA 103.77, QED 0.52
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-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 > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-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 > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-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 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1
InChIKey: UDFDIIVNIYWXDM-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Inhibition of CDC2
Measurement: Ki = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 394.44, ALogP 4.12, HBA 5, HBD 2, PSA 88.49, QED 0.47
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: P53778
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK12
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14012
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-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 > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE63
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK4
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-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 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-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 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-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 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1
InChIKey: UDFDIIVNIYWXDM-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: Inhibition Assay: 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 using 12 ng baculovirus-expressed Cdc7/Dbf4 and 2 μM Jerini peptide substrate A-A11 (biotin-C6linker-TPSDSLIYDDGLS) (SEQ ID NO:5). Reactions were initiated with λ-[33P]-ATP (1 μM, 20 mCi/μmol) and quenched after 1 hour with 5 volumes of stop buffer (50 mM EDTA, 2 M NaCl). The reactions were incubated for 30 minutes on streptavidin-coated plates, washed, and quantified using a TopCount scintillation plate reader (Packard). IC50 values are determined via non-linear regression fitting of the data. Ki values are generated assuming ATP-competitive (equilibrium) inhibition and using the experimentally determined apparent ATP Km of Cdc7 (0.7 μM).
Measurement: Ki = 0.6 nM (pChEMBL 9.220000267028809)
Descriptors: MW 394.44, ALogP 4.12, HBA 5, HBD 2, PSA 88.49, QED 0.47
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fer (SINGLE PROTEIN), Homo sapiens
UniProt: P16591
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FER
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-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 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fer (SINGLE PROTEIN), Homo sapiens
UniProt: P16591
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FER
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-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 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-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 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase DCLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15075
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DCAMKL1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase DCLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15075
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DCAMKL1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53350
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1
InChIKey: UDFDIIVNIYWXDM-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: Inhibition Assay: 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 using 12 ng baculovirus-expressed Cdc7/Dbf4 and 2 μM Jerini peptide substrate A-A11 (biotin-C6linker-TPSDSLIYDDGLS) (SEQ ID NO:5). Reactions were initiated with λ-[33P]-ATP (1 μM, 20 mCi/μmol) and quenched after 1 hour with 5 volumes of stop buffer (50 mM EDTA, 2 M NaCl). The reactions were incubated for 30 minutes on streptavidin-coated plates, washed, and quantified using a TopCount scintillation plate reader (Packard). IC50 values are determined via non-linear regression fitting of the data. Ki values are generated assuming ATP-competitive (equilibrium) inhibition and using the experimentally determined apparent ATP Km of Cdc7 (0.7 μM).
Measurement: Ki = 0.4 nM (pChEMBL 9.399999618530273)
Descriptors: MW 394.44, ALogP 4.12, HBA 5, HBD 2, PSA 88.49, QED 0.47
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-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 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDPK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-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 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-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 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P22607
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR3
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P22607
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR3
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-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 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase DCLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15075
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DCAMKL1
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-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 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-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 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15303
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ERBB4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15303
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ERBB4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35916
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT4
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-UHFFFAOYSA-N
Target: 3-phosphoinositide-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDPK1
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P22607
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR3
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14012
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): NC(=O)c1sc2c(Br)ccc(Cl)c2c1N
InChIKey: PAIFYAZSILXLBO-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 305.58, ALogP 3, HBA 3, HBD 2, PSA 69.11, QED 0.85
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-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 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44
Compound (SMILES): Cc1ccc2c(c1)NC(=O)c1ccccc1N2
InChIKey: UNPJSGSIMWLTCH-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 > 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): O=C(NN=Cc1ccc(O)cc1O)Nc1cccc2nsnc12
InChIKey: RLBVMDNZMOAABQ-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE63
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK4
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 329.34, ALogP 2.26, HBA 7, HBD 4, PSA 119.73, QED 0.43
Compound (SMILES): OCCCNc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: YUOWJICKAJQZLS-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 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 268.32, ALogP 2.42, HBA 4, HBD 3, PSA 73.83, QED 0.62
Compound (SMILES): NCCC(C(=O)Nc1ccc2[nH]ncc2c1)c1ccc(Cl)c(Cl)c1
InChIKey: XYZNKCSDQRKAFR-UHFFFAOYSA-N
Target: Receptor tyrosine-protein kinase erbB-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15303
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ERBB4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 363.25, ALogP 3.94, HBA 3, HBD 3, PSA 83.8, QED 0.64
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1
InChIKey: YVKVSKQNYIHXPX-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 332.4, ALogP 3.08, HBA 3, HBD 2, PSA 62.22, QED 0.73
Compound (SMILES): Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: PTVPBWWDGZSEAF-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 447.42, ALogP 5.74, HBA 5, HBD 3, PSA 92.93, QED 0.35
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3ccco3)c(=O)n2C(N)=C(C#N)C1c1ccco1
InChIKey: NSYXCWYWACQNOH-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53350
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK1
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 409.42, ALogP 1.09, HBA 9, HBD 1, PSA 124.39, QED 0.64
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIKey: NERQMDXDVAZVNX-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 344.38, ALogP 3.68, HBA 7, HBD 1, PSA 81.13, QED 0.44