lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02750
Assay: Inhibition of MEK1 (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 139 nM (pChEMBL 6.860000133514404)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: MAP kinase-interacting serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBH9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MKNK2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Ephrin type-A receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29317
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EPHA2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-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 = 3.162 nM (pChEMBL 8.5)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 19 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BWU1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC2L6
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-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 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P36507
Assay: Inhibition of MEK2 (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 391 nM (pChEMBL 6.409999847412109)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: Ephrin type-A receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29317
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EPHA2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk2 (SINGLE PROTEIN), Homo sapiens
UniProt: O96017
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBY8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SGK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-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 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: MAP kinase-interacting serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBH9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MKNK2
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Hepatocyte growth factor-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: P26927
Assay: Inhibition of MST1 (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 177 nM (pChEMBL 6.75)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D3 (SINGLE PROTEIN), Homo sapiens
UniProt: O94806
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCN
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-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 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Further kinetic evaluation of compounds supplied by Sanofi against AuroraA within a BIAcore3000 instrument
Measurement: Kd = 78.9 nM (pChEMBL 7.099999904632568)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Ephrin type-A receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29317
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EPHA2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: Inhibition of NEK2 (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-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 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXA7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22D
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-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 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKE
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D3 (SINGLE PROTEIN), Homo sapiens
UniProt: O94806
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCN
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: Inhibition of PAK4 kinase domain (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 46 nM (pChEMBL 7.340000152587891)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: O15111
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHUK
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13153
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D3 (SINGLE PROTEIN), Homo sapiens
UniProt: O94806
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCN
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13188
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK3
Measurement: Ki = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk2 (SINGLE PROTEIN), Homo sapiens
UniProt: O96017
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK2
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWZ3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK4
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P16234
Assay: Inhibition of PDGFRA (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 4310 nM (pChEMBL 5.369999885559082)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-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 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXA7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22D
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13153
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-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 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MRCK alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q5VT25
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC42BPA
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWZ3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK4
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor beta (SINGLE PROTEIN), Homo sapiens
UniProt: P09619
Assay: Inhibition of PDGFRB (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 5270 nM (pChEMBL 5.28000020980835)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lck (SINGLE PROTEIN), Homo sapiens
UniProt: P06239
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LCK
Measurement: Ki = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 2-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q14289
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2B
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 2-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q14289
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2B
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: O15111
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHUK
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK2
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXA7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22D
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Inhibition of PIM1 (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-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 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43781
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK3
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Protein kinase C gamma type (SINGLE PROTEIN), Homo sapiens
UniProt: P05129
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCG
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4B4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 2-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q14289
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2B
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Inhibition of PKCtheta (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 7510 nM (pChEMBL 5.119999885559082)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lyn (SINGLE PROTEIN), Homo sapiens
UniProt: P07948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LYN
Measurement: Ki = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NR20
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK4
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43781
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK3
Measurement: Ki = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-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 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P78368
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G2
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NR20
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK4
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: cGMP-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13976
Assay: Inhibition of PKG1A (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NR20
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK4
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-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 = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ALK
Measurement: Ki = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13153
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D3 (SINGLE PROTEIN), Homo sapiens
UniProt: O94806
Assay: Inhibition of Prkcn (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 1350 nM (pChEMBL 5.869999885559082)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28482
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-UHFFFAOYSA-N
Target: Protein kinase C gamma type (SINGLE PROTEIN), Homo sapiens
UniProt: P05129
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCG
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Maternal embryonic leucine zipper kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q14680
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MELK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lyn (SINGLE PROTEIN), Homo sapiens
UniProt: P07948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LYN
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Protein kinase C gamma type (SINGLE PROTEIN), Homo sapiens
UniProt: P05129
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCG
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: Inhibition of RET (unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 132 nM (pChEMBL 6.880000114440918)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWZ3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK4
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-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 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28482
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: O14920
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKB
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43781
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK3
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: Inhibition of ROCK1(unknown origin) after 60 mins by TR-FRET assay
Measurement: IC50 = 413 nM (pChEMBL 6.380000114440918)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: Casein kinase II subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P68400
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK2A1
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-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 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-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 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lck (SINGLE PROTEIN), Homo sapiens
UniProt: P06239
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LCK
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-UHFFFAOYSA-N
Target: Maternal embryonic leucine zipper kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q14680
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MELK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59