lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1
InChIKey: DPRGOXVMSNDADU-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 775.93, ALogP 0.17, HBA 11, HBD 16, PSA 382.54, QED 0.04
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12
InChIKey: JSDGKSMNPHJDFK-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 353.4, ALogP 3.03, HBA 6, HBD 2, PSA 86.47, QED 0.71
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21
InChIKey: QBKUOOQFSVMDPB-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P49336
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 345.18, ALogP 4.02, HBA 3, HBD 1, PSA 46.5, QED 0.57
Compound (SMILES): CC(C)C(C)Nc1ncc(Cl)c(Nc2nccs2)n1
InChIKey: OFGKHGRQQKNHAV-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 297.82, ALogP 3.79, HBA 6, HBD 2, PSA 62.73, QED 0.88
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1
InChIKey: JFKIXRTUZAZONT-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 > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 348.79, ALogP 4.53, HBA 3, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1
InChIKey: AIQDZMUPVYDVLB-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EGFR
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 379.45, ALogP 2.87, HBA 6, HBD 2, PSA 102.9, QED 0.55
Compound (SMILES): COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1
InChIKey: MQAKXLBEDXFDMV-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P45984
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK9
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 290.32, ALogP 3.46, HBA 3, HBD 1, PSA 46.5, QED 0.61
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: PTSWSUSIGQQZOO-UHFFFAOYSA-N
Target: Death-associated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43293
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 392.44, ALogP 3.42, HBA 7, HBD 2, PSA 88.23, QED 0.52
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F
InChIKey: BBZSEXSOPOXLIQ-UHFFFAOYSA-N
Target: NT-3 growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16288
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK3
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 384.77, ALogP 4.81, HBA 3, HBD 2, PSA 70.67, QED 0.5
Compound (SMILES): O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1
InChIKey: NFMGZVPRGVERNN-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 = 3.981 nM (pChEMBL 8.399999618530273)
Descriptors: MW 585.69, ALogP 6.57, HBA 8, HBD 2, PSA 104.52, QED 0.21
Compound (SMILES): COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC
InChIKey: MHEQZGILOSVPBZ-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 388.22, ALogP 3.81, HBA 5, HBD 0, PSA 57.12, QED 0.59
Compound (SMILES): CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1
InChIKey: KBRJIBFRLFVYJL-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 299.37, ALogP 2.8, HBA 5, HBD 2, PSA 71.09, QED 0.83
Compound (SMILES): O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1
InChIKey: GQHSVFWCNBWKGM-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 399.42, ALogP 4.13, HBA 5, HBD 2, PSA 66.89, QED 0.54
Compound (SMILES): OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: OUJZYQBEFNDJQN-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 343.82, ALogP 3.39, HBA 5, HBD 3, PSA 86.72, QED 0.63
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: WYBGYJNIKOAPQI-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 424.46, ALogP 3.87, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12
InChIKey: KNVOICXEDILAGT-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 = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 479.58, ALogP 4.45, HBA 5, HBD 2, PSA 83.14, QED 0.33
Compound (SMILES): CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1
InChIKey: USHMNZBDAOGLMB-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 746.89, ALogP 1.02, HBA 10, HBD 16, PSA 379.3, QED 0.05
Compound (SMILES): CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21
InChIKey: UIRCQOKSJDLYBB-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 301.39, ALogP 4.11, HBA 3, HBD 2, PSA 55.28, QED 0.66
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1
InChIKey: GUHUQPHEGAYGKK-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 446.53, ALogP 4.38, HBA 7, HBD 2, PSA 88.23, QED 0.42
Compound (SMILES): NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1
InChIKey: UMULGPSQNQMYNC-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 331.42, ALogP 3.6, HBA 4, HBD 1, PSA 61.03, QED 0.72
Compound (SMILES): O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1
InChIKey: ZZIXCHIEESZZDI-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor beta (SINGLE PROTEIN), Homo sapiens
UniProt: P09619
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDGFRB
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 434.51, ALogP 7.06, HBA 2, HBD 2, PSA 41.13, QED 0.34
Compound (SMILES): CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12
InChIKey: LUPCHAFIKZSOOK-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 373.48, ALogP 2.56, HBA 5, HBD 2, PSA 92.15, QED 0.72
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4sncc34)cc2)c1
InChIKey: KHOVFNRAIYTEPO-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 373.48, ALogP 6.22, HBA 3, HBD 2, PSA 54.02, QED 0.45
Compound (SMILES): CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1
InChIKey: WFTZMAAMCVPJJT-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 430.39, ALogP 4.9, HBA 4, HBD 3, PSA 92.35, QED 0.54
Compound (SMILES): O=c1[nH]cnc2c1oc1ccc(Cl)cc12
InChIKey: QNZJDYVERIAXAI-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 220.62, ALogP 2.32, HBA 3, HBD 1, PSA 58.89, QED 0.63
Compound (SMILES): CCCS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIKey: YKYRQCWLYUTVIE-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51617
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 330.41, ALogP 2.96, HBA 4, HBD 3, PSA 100.87, QED 0.67
Compound (SMILES): O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12
InChIKey: YGKFZWJWKPZPQM-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 280.29, ALogP 2.98, HBA 4, HBD 3, PSA 87.14, QED 0.67
Compound (SMILES): COc1ccc(CNc2c(Nc3ccc4[nH]ncc4c3)c(=O)c2=O)cc1
InChIKey: VVQQRUZZQQSDEI-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51617
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 348.36, ALogP 2.52, HBA 6, HBD 3, PSA 96.11, QED 0.46
Compound (SMILES): O=C(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1
InChIKey: PQRCICYGWACMGJ-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 407.41, ALogP 3.98, HBA 7, HBD 2, PSA 126.42, QED 0.28
Compound (SMILES): O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1
InChIKey: WQFGNANQTYLQBP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 370.42, ALogP 5.24, HBA 3, HBD 1, PSA 41.99, QED 0.6
Compound (SMILES): Brc1cnc2[nH]cc(-c3ccccc3)c2c1
InChIKey: OADRBDVURCEKRP-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 273.13, ALogP 3.99, HBA 1, HBD 1, PSA 28.68, QED 0.71
Compound (SMILES): O=C(NS(=O)(=O)c1ccc(NCCSc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1
InChIKey: ZQJVVICZLBJUTJ-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 567.62, ALogP 5.43, HBA 8, HBD 3, PSA 138.64, QED 0.1
Compound (SMILES): CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1
InChIKey: WLLUQXGGNFUQGM-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 411.43, ALogP 1, HBA 11, HBD 2, PSA 149.58, QED 0.43
Compound (SMILES): CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4cccc(F)c4F)cc23)CC1
InChIKey: YRVHWCZERXVDLL-UHFFFAOYSA-N
Target: High affinity nerve growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04629
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK1
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 429.48, ALogP 2.65, HBA 6, HBD 2, PSA 90.04, QED 0.6
Compound (SMILES): O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1
InChIKey: WGYAMRMJVUNILQ-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 399.88, ALogP 5.29, HBA 3, HBD 2, PSA 57.25, QED 0.49
Compound (SMILES): OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: PSCJSWRVCKUMSL-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 284.32, ALogP 1.39, HBA 5, HBD 4, PSA 94.06, QED 0.57
Compound (SMILES): Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1
InChIKey: SYLTYCLPHHSEIJ-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 269.26, ALogP 2.92, HBA 5, HBD 2, PSA 96.74, QED 0.56
Compound (SMILES): CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1
InChIKey: DPRGOXVMSNDADU-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 775.93, ALogP 0.17, HBA 11, HBD 16, PSA 382.54, QED 0.04
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12
InChIKey: JSDGKSMNPHJDFK-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 353.4, ALogP 3.03, HBA 6, HBD 2, PSA 86.47, QED 0.71
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21
InChIKey: QBKUOOQFSVMDPB-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 345.18, ALogP 4.02, HBA 3, HBD 1, PSA 46.5, QED 0.57
Compound (SMILES): CC(C)C(C)Nc1ncc(Cl)c(Nc2nccs2)n1
InChIKey: OFGKHGRQQKNHAV-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P49336
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 297.82, ALogP 3.79, HBA 6, HBD 2, PSA 62.73, QED 0.88
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1
InChIKey: JFKIXRTUZAZONT-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y463
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1B
Measurement: Ki = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 348.79, ALogP 4.53, HBA 3, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1
InChIKey: AIQDZMUPVYDVLB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek4 (SINGLE PROTEIN), Homo sapiens
UniProt: P51957
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK4
Measurement: Ki = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 379.45, ALogP 2.87, HBA 6, HBD 2, PSA 102.9, QED 0.55
Compound (SMILES): COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1
InChIKey: MQAKXLBEDXFDMV-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase ROS (SINGLE PROTEIN), Homo sapiens
UniProt: P08922
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROS1
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 290.32, ALogP 3.46, HBA 3, HBD 1, PSA 46.5, QED 0.61
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: PTSWSUSIGQQZOO-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 392.44, ALogP 3.42, HBA 7, HBD 2, PSA 88.23, QED 0.52
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F
InChIKey: BBZSEXSOPOXLIQ-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 384.77, ALogP 4.81, HBA 3, HBD 2, PSA 70.67, QED 0.5
Compound (SMILES): O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1
InChIKey: NFMGZVPRGVERNN-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 = 100 nM (pChEMBL 7)
Descriptors: MW 585.69, ALogP 6.57, HBA 8, HBD 2, PSA 104.52, QED 0.21
Compound (SMILES): COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC
InChIKey: MHEQZGILOSVPBZ-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 388.22, ALogP 3.81, HBA 5, HBD 0, PSA 57.12, QED 0.59
Compound (SMILES): CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1
InChIKey: KBRJIBFRLFVYJL-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 299.37, ALogP 2.8, HBA 5, HBD 2, PSA 71.09, QED 0.83
Compound (SMILES): O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1
InChIKey: GQHSVFWCNBWKGM-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 399.42, ALogP 4.13, HBA 5, HBD 2, PSA 66.89, QED 0.54
Compound (SMILES): OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: OUJZYQBEFNDJQN-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 343.82, ALogP 3.39, HBA 5, HBD 3, PSA 86.72, QED 0.63
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: WYBGYJNIKOAPQI-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y463
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1B
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 424.46, ALogP 3.87, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12
InChIKey: KNVOICXEDILAGT-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 479.58, ALogP 4.45, HBA 5, HBD 2, PSA 83.14, QED 0.33
Compound (SMILES): CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1
InChIKey: USHMNZBDAOGLMB-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 746.89, ALogP 1.02, HBA 10, HBD 16, PSA 379.3, QED 0.05
Compound (SMILES): CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21
InChIKey: UIRCQOKSJDLYBB-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1D (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IU85
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1D
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 301.39, ALogP 4.11, HBA 3, HBD 2, PSA 55.28, QED 0.66
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1
InChIKey: GUHUQPHEGAYGKK-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 446.53, ALogP 4.38, HBA 7, HBD 2, PSA 88.23, QED 0.42
Compound (SMILES): NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1
InChIKey: UMULGPSQNQMYNC-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 331.42, ALogP 3.6, HBA 4, HBD 1, PSA 61.03, QED 0.72
Compound (SMILES): O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1
InChIKey: ZZIXCHIEESZZDI-UHFFFAOYSA-N
Target: High affinity nerve growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04629
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK1
Measurement: Ki = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 434.51, ALogP 7.06, HBA 2, HBD 2, PSA 41.13, QED 0.34
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4sncc34)cc2)c1
InChIKey: KHOVFNRAIYTEPO-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 373.48, ALogP 6.22, HBA 3, HBD 2, PSA 54.02, QED 0.45
Compound (SMILES): CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1
InChIKey: WFTZMAAMCVPJJT-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 430.39, ALogP 4.9, HBA 4, HBD 3, PSA 92.35, QED 0.54
Compound (SMILES): O=c1[nH]cnc2c1oc1ccc(Cl)cc12
InChIKey: QNZJDYVERIAXAI-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 220.62, ALogP 2.32, HBA 3, HBD 1, PSA 58.89, QED 0.63
Compound (SMILES): CCCS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIKey: YKYRQCWLYUTVIE-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P45983
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK8
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 330.41, ALogP 2.96, HBA 4, HBD 3, PSA 100.87, QED 0.67
Compound (SMILES): O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12
InChIKey: YGKFZWJWKPZPQM-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 280.29, ALogP 2.98, HBA 4, HBD 3, PSA 87.14, QED 0.67
Compound (SMILES): COc1ccc(CNc2c(Nc3ccc4[nH]ncc4c3)c(=O)c2=O)cc1
InChIKey: VVQQRUZZQQSDEI-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P45983
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK8
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 348.36, ALogP 2.52, HBA 6, HBD 3, PSA 96.11, QED 0.46
Compound (SMILES): O=C(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1
InChIKey: PQRCICYGWACMGJ-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 407.41, ALogP 3.98, HBA 7, HBD 2, PSA 126.42, QED 0.28
Compound (SMILES): O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1
InChIKey: WQFGNANQTYLQBP-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P49336
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 370.42, ALogP 5.24, HBA 3, HBD 1, PSA 41.99, QED 0.6
Compound (SMILES): Brc1cnc2[nH]cc(-c3ccccc3)c2c1
InChIKey: OADRBDVURCEKRP-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 273.13, ALogP 3.99, HBA 1, HBD 1, PSA 28.68, QED 0.71
Compound (SMILES): O=C(NS(=O)(=O)c1ccc(NCCSc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1
InChIKey: ZQJVVICZLBJUTJ-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 567.62, ALogP 5.43, HBA 8, HBD 3, PSA 138.64, QED 0.1
Compound (SMILES): CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1
InChIKey: WLLUQXGGNFUQGM-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 411.43, ALogP 1, HBA 11, HBD 2, PSA 149.58, QED 0.43
Compound (SMILES): CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4cccc(F)c4F)cc23)CC1
InChIKey: YRVHWCZERXVDLL-UHFFFAOYSA-N
Target: Casein kinase I isoform delta (SINGLE PROTEIN), Homo sapiens
UniProt: P48730
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1D
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 429.48, ALogP 2.65, HBA 6, HBD 2, PSA 90.04, QED 0.6
Compound (SMILES): O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1
InChIKey: WGYAMRMJVUNILQ-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 399.88, ALogP 5.29, HBA 3, HBD 2, PSA 57.25, QED 0.49
Compound (SMILES): OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: PSCJSWRVCKUMSL-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 284.32, ALogP 1.39, HBA 5, HBD 4, PSA 94.06, QED 0.57
Compound (SMILES): Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1
InChIKey: SYLTYCLPHHSEIJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 269.26, ALogP 2.92, HBA 5, HBD 2, PSA 96.74, QED 0.56
Compound (SMILES): CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1
InChIKey: DPRGOXVMSNDADU-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 775.93, ALogP 0.17, HBA 11, HBD 16, PSA 382.54, QED 0.04
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12
InChIKey: JSDGKSMNPHJDFK-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 353.4, ALogP 3.03, HBA 6, HBD 2, PSA 86.47, QED 0.71
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21
InChIKey: QBKUOOQFSVMDPB-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 345.18, ALogP 4.02, HBA 3, HBD 1, PSA 46.5, QED 0.57
Compound (SMILES): CC(C)C(C)Nc1ncc(Cl)c(Nc2nccs2)n1
InChIKey: OFGKHGRQQKNHAV-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 297.82, ALogP 3.79, HBA 6, HBD 2, PSA 62.73, QED 0.88
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1
InChIKey: JFKIXRTUZAZONT-UHFFFAOYSA-N
Target: Leucine-rich repeat serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5S007
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LRRK2
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 348.79, ALogP 4.53, HBA 3, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1
InChIKey: AIQDZMUPVYDVLB-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 379.45, ALogP 2.87, HBA 6, HBD 2, PSA 102.9, QED 0.55
Compound (SMILES): COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1
InChIKey: MQAKXLBEDXFDMV-UHFFFAOYSA-N
Target: Non-receptor tyrosine-protein kinase TYK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29597
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TYK2
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 290.32, ALogP 3.46, HBA 3, HBD 1, PSA 46.5, QED 0.61
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: PTSWSUSIGQQZOO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 392.44, ALogP 3.42, HBA 7, HBD 2, PSA 88.23, QED 0.52
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F
InChIKey: BBZSEXSOPOXLIQ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 384.77, ALogP 4.81, HBA 3, HBD 2, PSA 70.67, QED 0.5
Compound (SMILES): O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1
InChIKey: NFMGZVPRGVERNN-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 585.69, ALogP 6.57, HBA 8, HBD 2, PSA 104.52, QED 0.21
Compound (SMILES): COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC
InChIKey: MHEQZGILOSVPBZ-UHFFFAOYSA-N
Target: High affinity nerve growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04629
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK1
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 388.22, ALogP 3.81, HBA 5, HBD 0, PSA 57.12, QED 0.59
Compound (SMILES): CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1
InChIKey: KBRJIBFRLFVYJL-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 299.37, ALogP 2.8, HBA 5, HBD 2, PSA 71.09, QED 0.83
Compound (SMILES): O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1
InChIKey: GQHSVFWCNBWKGM-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 399.42, ALogP 4.13, HBA 5, HBD 2, PSA 66.89, QED 0.54
Compound (SMILES): OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: OUJZYQBEFNDJQN-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 > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 343.82, ALogP 3.39, HBA 5, HBD 3, PSA 86.72, QED 0.63
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: WYBGYJNIKOAPQI-UHFFFAOYSA-N
Target: Leucine-rich repeat serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5S007
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LRRK2
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 424.46, ALogP 3.87, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12
InChIKey: KNVOICXEDILAGT-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 = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 479.58, ALogP 4.45, HBA 5, HBD 2, PSA 83.14, QED 0.33
Compound (SMILES): CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1
InChIKey: USHMNZBDAOGLMB-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 746.89, ALogP 1.02, HBA 10, HBD 16, PSA 379.3, QED 0.05
Compound (SMILES): CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21
InChIKey: UIRCQOKSJDLYBB-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 301.39, ALogP 4.11, HBA 3, HBD 2, PSA 55.28, QED 0.66
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1
InChIKey: GUHUQPHEGAYGKK-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 446.53, ALogP 4.38, HBA 7, HBD 2, PSA 88.23, QED 0.42
Compound (SMILES): NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1
InChIKey: UMULGPSQNQMYNC-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 331.42, ALogP 3.6, HBA 4, HBD 1, PSA 61.03, QED 0.72
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4sncc34)cc2)c1
InChIKey: KHOVFNRAIYTEPO-UHFFFAOYSA-N
Target: Casein kinase I isoform delta (SINGLE PROTEIN), Homo sapiens
UniProt: P48730
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1D
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 373.48, ALogP 6.22, HBA 3, HBD 2, PSA 54.02, QED 0.45
Compound (SMILES): CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1
InChIKey: WFTZMAAMCVPJJT-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13882
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK6
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 430.39, ALogP 4.9, HBA 4, HBD 3, PSA 92.35, QED 0.54
Compound (SMILES): O=c1[nH]cnc2c1oc1ccc(Cl)cc12
InChIKey: QNZJDYVERIAXAI-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek4 (SINGLE PROTEIN), Homo sapiens
UniProt: P51957
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK4
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 220.62, ALogP 2.32, HBA 3, HBD 1, PSA 58.89, QED 0.63
Compound (SMILES): CCCS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIKey: YKYRQCWLYUTVIE-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 330.41, ALogP 2.96, HBA 4, HBD 3, PSA 100.87, QED 0.67
Compound (SMILES): O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12
InChIKey: YGKFZWJWKPZPQM-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1D (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IU85
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1D
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 280.29, ALogP 2.98, HBA 4, HBD 3, PSA 87.14, QED 0.67
Compound (SMILES): COc1ccc(CNc2c(Nc3ccc4[nH]ncc4c3)c(=O)c2=O)cc1
InChIKey: VVQQRUZZQQSDEI-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 348.36, ALogP 2.52, HBA 6, HBD 3, PSA 96.11, QED 0.46
Compound (SMILES): O=C(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1
InChIKey: PQRCICYGWACMGJ-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 407.41, ALogP 3.98, HBA 7, HBD 2, PSA 126.42, QED 0.28
Compound (SMILES): O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1
InChIKey: WQFGNANQTYLQBP-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P50613
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK7
Measurement: Ki = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 370.42, ALogP 5.24, HBA 3, HBD 1, PSA 41.99, QED 0.6
Compound (SMILES): Brc1cnc2[nH]cc(-c3ccccc3)c2c1
InChIKey: OADRBDVURCEKRP-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 273.13, ALogP 3.99, HBA 1, HBD 1, PSA 28.68, QED 0.71
Compound (SMILES): O=C(NS(=O)(=O)c1ccc(NCCSc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1
InChIKey: ZQJVVICZLBJUTJ-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 567.62, ALogP 5.43, HBA 8, HBD 3, PSA 138.64, QED 0.1
Compound (SMILES): CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1
InChIKey: WLLUQXGGNFUQGM-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 411.43, ALogP 1, HBA 11, HBD 2, PSA 149.58, QED 0.43
Compound (SMILES): CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4cccc(F)c4F)cc23)CC1
InChIKey: YRVHWCZERXVDLL-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IW41
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK5
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 429.48, ALogP 2.65, HBA 6, HBD 2, PSA 90.04, QED 0.6
Compound (SMILES): O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1
InChIKey: WGYAMRMJVUNILQ-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 = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 399.88, ALogP 5.29, HBA 3, HBD 2, PSA 57.25, QED 0.49
Compound (SMILES): OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: PSCJSWRVCKUMSL-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 > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 284.32, ALogP 1.39, HBA 5, HBD 4, PSA 94.06, QED 0.57
Compound (SMILES): Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1
InChIKey: SYLTYCLPHHSEIJ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Blk (SINGLE PROTEIN), Homo sapiens
UniProt: P51451
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BLK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 269.26, ALogP 2.92, HBA 5, HBD 2, PSA 96.74, QED 0.56
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12
InChIKey: JSDGKSMNPHJDFK-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 = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 353.4, ALogP 3.03, HBA 6, HBD 2, PSA 86.47, QED 0.71
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21
InChIKey: QBKUOOQFSVMDPB-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P50613
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK7
Measurement: Ki = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 345.18, ALogP 4.02, HBA 3, HBD 1, PSA 46.5, QED 0.57
Compound (SMILES): CC(C)C(C)Nc1ncc(Cl)c(Nc2nccs2)n1
InChIKey: OFGKHGRQQKNHAV-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P50613
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK7
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 297.82, ALogP 3.79, HBA 6, HBD 2, PSA 62.73, QED 0.88
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1
InChIKey: JFKIXRTUZAZONT-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 348.79, ALogP 4.53, HBA 3, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1
InChIKey: AIQDZMUPVYDVLB-UHFFFAOYSA-N
Target: Tyrosine-protein kinase ITK/TSK (SINGLE PROTEIN), Homo sapiens
UniProt: Q08881
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ITK
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 379.45, ALogP 2.87, HBA 6, HBD 2, PSA 102.9, QED 0.55
Compound (SMILES): COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1
InChIKey: MQAKXLBEDXFDMV-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00535
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5
Measurement: Ki = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 290.32, ALogP 3.46, HBA 3, HBD 1, PSA 46.5, QED 0.61
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: PTSWSUSIGQQZOO-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Blk (SINGLE PROTEIN), Homo sapiens
UniProt: P51451
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BLK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 392.44, ALogP 3.42, HBA 7, HBD 2, PSA 88.23, QED 0.52
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F
InChIKey: BBZSEXSOPOXLIQ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P50750
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 384.77, ALogP 4.81, HBA 3, HBD 2, PSA 70.67, QED 0.5
Compound (SMILES): O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1
InChIKey: NFMGZVPRGVERNN-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 585.69, ALogP 6.57, HBA 8, HBD 2, PSA 104.52, QED 0.21