lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIKey: BSFNGHCTZDCQBF-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 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 476.54, ALogP 5.26, HBA 5, HBD 3, PSA 106.17, QED 0.28
Compound (SMILES): O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21
InChIKey: FYYNFIZWOMBUTO-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 341.21, ALogP 2.26, HBA 4, HBD 2, PSA 58.2, QED 0.56
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1
InChIKey: HUXSWYWELGEQNC-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 490.46, ALogP 4.36, HBA 8, HBD 2, PSA 97.46, QED 0.35
Compound (SMILES): CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
InChIKey: XHORJSJFHVABEA-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 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 502.58, ALogP 5.57, HBA 7, HBD 4, PSA 118.09, QED 0.24
Compound (SMILES): CSc1c[nH]c2ncnc(NCCCO)c12
InChIKey: MMMPFWNSQKXKDX-UHFFFAOYSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCI
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 238.32, ALogP 1.47, HBA 5, HBD 3, PSA 73.83, QED 0.54
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C
InChIKey: DKSNLQYRZJKYOC-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 389.48, ALogP 5.2, HBA 5, HBD 3, PSA 92.93, QED 0.45
Compound (SMILES): COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O
InChIKey: SQXSMLLCDWJNAC-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 326.38, ALogP 3.29, HBA 5, HBD 2, PSA 70.92, QED 0.85
Compound (SMILES): O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21
InChIKey: DBXGGXLBTWZXBB-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 420.38, ALogP 3.11, HBA 7, HBD 1, PSA 90.62, QED 0.47
Compound (SMILES): Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1
InChIKey: WIHAOLDOGQOGIU-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SLK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 438.48, ALogP 4.18, HBA 7, HBD 2, PSA 88.23, QED 0.47
Compound (SMILES): CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: KBFBKKNSHPUFET-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 468.51, ALogP 4.35, HBA 8, HBD 2, PSA 97.46, QED 0.4
Compound (SMILES): NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1
InChIKey: OPLHMHMCXQXEQG-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2D
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 463.52, ALogP 2.08, HBA 6, HBD 4, PSA 147.04, QED 0.33
Compound (SMILES): Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1
InChIKey: PYDWRLNPMMKKCI-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 295.34, ALogP 4.26, HBA 4, HBD 0, PSA 30.19, QED 0.55
Compound (SMILES): CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1
InChIKey: IJRBJCMLWLFMIN-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 236.27, ALogP 3.43, HBA 2, HBD 1, PSA 45.75, QED 0.69
Compound (SMILES): O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1
InChIKey: JCZBWICLNFNCMR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 431.41, ALogP 6.77, HBA 3, HBD 2, PSA 54.02, QED 0.35
Compound (SMILES): COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O
InChIKey: OLVBAUVSICCWEJ-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 483.5, ALogP 5.45, HBA 5, HBD 4, PSA 99.69, QED 0.3
Compound (SMILES): Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21
InChIKey: QEWSTOOMTBAUAG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 17A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UEE5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK17A
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 386.41, ALogP 2.67, HBA 6, HBD 3, PSA 110.24, QED 0.28
Compound (SMILES): OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIKey: PDMUGYOXRHVNMO-UHFFFAOYSA-N
Target: Bone morphogenetic protein receptor type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13873
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 372.39, ALogP 1.67, HBA 9, HBD 1, PSA 107.43, QED 0.5
Compound (SMILES): Cc1cc(OC2CCCC2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl
InChIKey: NJKBCVHYFWYIIQ-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 371.83, ALogP 4.28, HBA 5, HBD 2, PSA 99.93, QED 0.84
Compound (SMILES): Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1
InChIKey: IUUVJFSKAMMCEA-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 438.8, ALogP 3.4, HBA 7, HBD 4, PSA 126.05, QED 0.45
Compound (SMILES): CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12
InChIKey: SEVCBWKJSOLMNQ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRC
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 483.64, ALogP 6.19, HBA 5, HBD 3, PSA 83.28, QED 0.29
Compound (SMILES): Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O
InChIKey: BZFGDXJGWSIYQP-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 = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 393.14, ALogP -1.38, HBA 9, HBD 4, PSA 139.54, QED 0.46
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1
InChIKey: MULNSLQVKKUPJN-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 539.67, ALogP 6.01, HBA 7, HBD 3, PSA 118.17, QED 0.24
Compound (SMILES): CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: KKWLJUDRBFHJPA-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2D
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 424.46, ALogP 3.88, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIKey: BSFNGHCTZDCQBF-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 476.54, ALogP 5.26, HBA 5, HBD 3, PSA 106.17, QED 0.28
Compound (SMILES): O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21
InChIKey: FYYNFIZWOMBUTO-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 341.21, ALogP 2.26, HBA 4, HBD 2, PSA 58.2, QED 0.56
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1
InChIKey: HUXSWYWELGEQNC-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCP0
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G1
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 490.46, ALogP 4.36, HBA 8, HBD 2, PSA 97.46, QED 0.35
Compound (SMILES): CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
InChIKey: XHORJSJFHVABEA-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 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 502.58, ALogP 5.57, HBA 7, HBD 4, PSA 118.09, QED 0.24
Compound (SMILES): CSc1c[nH]c2ncnc(NCCCO)c12
InChIKey: MMMPFWNSQKXKDX-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96PF2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22B
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 238.32, ALogP 1.47, HBA 5, HBD 3, PSA 73.83, QED 0.54
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C
InChIKey: DKSNLQYRZJKYOC-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 = 0.2512 nM (pChEMBL 9.600000381469727)
Descriptors: MW 389.48, ALogP 5.2, HBA 5, HBD 3, PSA 92.93, QED 0.45
Compound (SMILES): COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O
InChIKey: SQXSMLLCDWJNAC-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 326.38, ALogP 3.29, HBA 5, HBD 2, PSA 70.92, QED 0.85
Compound (SMILES): O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21
InChIKey: DBXGGXLBTWZXBB-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 420.38, ALogP 3.11, HBA 7, HBD 1, PSA 90.62, QED 0.47
Compound (SMILES): Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1
InChIKey: WIHAOLDOGQOGIU-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 438.48, ALogP 4.18, HBA 7, HBD 2, PSA 88.23, QED 0.47
Compound (SMILES): CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: KBFBKKNSHPUFET-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 468.51, ALogP 4.35, HBA 8, HBD 2, PSA 97.46, QED 0.4
Compound (SMILES): NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1
InChIKey: OPLHMHMCXQXEQG-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 463.52, ALogP 2.08, HBA 6, HBD 4, PSA 147.04, QED 0.33
Compound (SMILES): Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1
InChIKey: PYDWRLNPMMKKCI-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 295.34, ALogP 4.26, HBA 4, HBD 0, PSA 30.19, QED 0.55
Compound (SMILES): CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1
InChIKey: IJRBJCMLWLFMIN-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 236.27, ALogP 3.43, HBA 2, HBD 1, PSA 45.75, QED 0.69
Compound (SMILES): O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1
InChIKey: JCZBWICLNFNCMR-UHFFFAOYSA-N
Target: Eukaryotic elongation factor 2 kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00418
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EEF2K
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 431.41, ALogP 6.77, HBA 3, HBD 2, PSA 54.02, QED 0.35
Compound (SMILES): COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O
InChIKey: OLVBAUVSICCWEJ-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SLK
Measurement: Ki = 10000 nM (pChEMBL 5)
Descriptors: MW 483.5, ALogP 5.45, HBA 5, HBD 4, PSA 99.69, QED 0.3
Compound (SMILES): Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21
InChIKey: QEWSTOOMTBAUAG-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCP0
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 386.41, ALogP 2.67, HBA 6, HBD 3, PSA 110.24, QED 0.28
Compound (SMILES): OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIKey: PDMUGYOXRHVNMO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 372.39, ALogP 1.67, HBA 9, HBD 1, PSA 107.43, QED 0.5
Compound (SMILES): Cc1cc(OC2CCCC2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl
InChIKey: NJKBCVHYFWYIIQ-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 371.83, ALogP 4.28, HBA 5, HBD 2, PSA 99.93, QED 0.84
Compound (SMILES): Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1
InChIKey: IUUVJFSKAMMCEA-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 438.8, ALogP 3.4, HBA 7, HBD 4, PSA 126.05, QED 0.45
Compound (SMILES): CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12
InChIKey: SEVCBWKJSOLMNQ-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 483.64, ALogP 6.19, HBA 5, HBD 3, PSA 83.28, QED 0.29
Compound (SMILES): Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O
InChIKey: BZFGDXJGWSIYQP-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 393.14, ALogP -1.38, HBA 9, HBD 4, PSA 139.54, QED 0.46
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1
InChIKey: MULNSLQVKKUPJN-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 539.67, ALogP 6.01, HBA 7, HBD 3, PSA 118.17, QED 0.24
Compound (SMILES): CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: KKWLJUDRBFHJPA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 424.46, ALogP 3.88, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIKey: BSFNGHCTZDCQBF-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 = 1 nM (pChEMBL 9)
Descriptors: MW 476.54, ALogP 5.26, HBA 5, HBD 3, PSA 106.17, QED 0.28
Compound (SMILES): O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21
InChIKey: FYYNFIZWOMBUTO-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 341.21, ALogP 2.26, HBA 4, HBD 2, PSA 58.2, QED 0.56
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1
InChIKey: HUXSWYWELGEQNC-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35916
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT4
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 490.46, ALogP 4.36, HBA 8, HBD 2, PSA 97.46, QED 0.35
Compound (SMILES): N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1
InChIKey: HFNKQEVNSGCOJV-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P16234
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDGFRA
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 306.37, ALogP 3.47, HBA 5, HBD 1, PSA 83.18, QED 0.8
Compound (SMILES): CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
InChIKey: XHORJSJFHVABEA-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 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 502.58, ALogP 5.57, HBA 7, HBD 4, PSA 118.09, QED 0.24
Compound (SMILES): CSc1c[nH]c2ncnc(NCCCO)c12
InChIKey: MMMPFWNSQKXKDX-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2D
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 238.32, ALogP 1.47, HBA 5, HBD 3, PSA 73.83, QED 0.54
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C
InChIKey: DKSNLQYRZJKYOC-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 389.48, ALogP 5.2, HBA 5, HBD 3, PSA 92.93, QED 0.45
Compound (SMILES): COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O
InChIKey: SQXSMLLCDWJNAC-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AXL
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 326.38, ALogP 3.29, HBA 5, HBD 2, PSA 70.92, QED 0.85
Compound (SMILES): O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21
InChIKey: DBXGGXLBTWZXBB-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 420.38, ALogP 3.11, HBA 7, HBD 1, PSA 90.62, QED 0.47
Compound (SMILES): Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1
InChIKey: WIHAOLDOGQOGIU-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAZ1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 438.48, ALogP 4.18, HBA 7, HBD 2, PSA 88.23, QED 0.47
Compound (SMILES): CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: KBFBKKNSHPUFET-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35916
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT4
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 468.51, ALogP 4.35, HBA 8, HBD 2, PSA 97.46, QED 0.4
Compound (SMILES): NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1
InChIKey: OPLHMHMCXQXEQG-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 463.52, ALogP 2.08, HBA 6, HBD 4, PSA 147.04, QED 0.33
Compound (SMILES): Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1
InChIKey: PYDWRLNPMMKKCI-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 295.34, ALogP 4.26, HBA 4, HBD 0, PSA 30.19, QED 0.55
Compound (SMILES): CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1
InChIKey: IJRBJCMLWLFMIN-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 236.27, ALogP 3.43, HBA 2, HBD 1, PSA 45.75, QED 0.69
Compound (SMILES): O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1
InChIKey: JCZBWICLNFNCMR-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 431.41, ALogP 6.77, HBA 3, HBD 2, PSA 54.02, QED 0.35
Compound (SMILES): COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O
InChIKey: OLVBAUVSICCWEJ-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 483.5, ALogP 5.45, HBA 5, HBD 4, PSA 99.69, QED 0.3
Compound (SMILES): Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21
InChIKey: QEWSTOOMTBAUAG-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35916
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT4
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 386.41, ALogP 2.67, HBA 6, HBD 3, PSA 110.24, QED 0.28
Compound (SMILES): OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIKey: PDMUGYOXRHVNMO-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 372.39, ALogP 1.67, HBA 9, HBD 1, PSA 107.43, QED 0.5
Compound (SMILES): Cc1cc(OC2CCCC2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl
InChIKey: NJKBCVHYFWYIIQ-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 371.83, ALogP 4.28, HBA 5, HBD 2, PSA 99.93, QED 0.84
Compound (SMILES): Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1
InChIKey: IUUVJFSKAMMCEA-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 438.8, ALogP 3.4, HBA 7, HBD 4, PSA 126.05, QED 0.45
Compound (SMILES): CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12
InChIKey: SEVCBWKJSOLMNQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 17A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UEE5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK17A
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 483.64, ALogP 6.19, HBA 5, HBD 3, PSA 83.28, QED 0.29
Compound (SMILES): Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O
InChIKey: BZFGDXJGWSIYQP-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 393.14, ALogP -1.38, HBA 9, HBD 4, PSA 139.54, QED 0.46
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1
InChIKey: MULNSLQVKKUPJN-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 > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 539.67, ALogP 6.01, HBA 7, HBD 3, PSA 118.17, QED 0.24
Compound (SMILES): CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: KKWLJUDRBFHJPA-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 424.46, ALogP 3.88, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIKey: BSFNGHCTZDCQBF-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 476.54, ALogP 5.26, HBA 5, HBD 3, PSA 106.17, QED 0.28
Compound (SMILES): O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21
InChIKey: FYYNFIZWOMBUTO-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2X6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK2
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 341.21, ALogP 2.26, HBA 4, HBD 2, PSA 58.2, QED 0.56
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1
InChIKey: HUXSWYWELGEQNC-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE63
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK4
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 490.46, ALogP 4.36, HBA 8, HBD 2, PSA 97.46, QED 0.35
Compound (SMILES): CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
InChIKey: XHORJSJFHVABEA-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 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 502.58, ALogP 5.57, HBA 7, HBD 4, PSA 118.09, QED 0.24
Compound (SMILES): CSc1c[nH]c2ncnc(NCCCO)c12
InChIKey: MMMPFWNSQKXKDX-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 238.32, ALogP 1.47, HBA 5, HBD 3, PSA 73.83, QED 0.54
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C
InChIKey: DKSNLQYRZJKYOC-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 389.48, ALogP 5.2, HBA 5, HBD 3, PSA 92.93, QED 0.45
Compound (SMILES): COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O
InChIKey: SQXSMLLCDWJNAC-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 326.38, ALogP 3.29, HBA 5, HBD 2, PSA 70.92, QED 0.85
Compound (SMILES): O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21
InChIKey: DBXGGXLBTWZXBB-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 420.38, ALogP 3.11, HBA 7, HBD 1, PSA 90.62, QED 0.47
Compound (SMILES): Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1
InChIKey: WIHAOLDOGQOGIU-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 438.48, ALogP 4.18, HBA 7, HBD 2, PSA 88.23, QED 0.47
Compound (SMILES): CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: KBFBKKNSHPUFET-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE63
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK4
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 468.51, ALogP 4.35, HBA 8, HBD 2, PSA 97.46, QED 0.4
Compound (SMILES): NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1
InChIKey: OPLHMHMCXQXEQG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MARK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZI7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK2
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 463.52, ALogP 2.08, HBA 6, HBD 4, PSA 147.04, QED 0.33
Compound (SMILES): Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1
InChIKey: PYDWRLNPMMKKCI-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 295.34, ALogP 4.26, HBA 4, HBD 0, PSA 30.19, QED 0.55
Compound (SMILES): CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1
InChIKey: IJRBJCMLWLFMIN-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 236.27, ALogP 3.43, HBA 2, HBD 1, PSA 45.75, QED 0.69
Compound (SMILES): O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1
InChIKey: JCZBWICLNFNCMR-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 431.41, ALogP 6.77, HBA 3, HBD 2, PSA 54.02, QED 0.35
Compound (SMILES): COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O
InChIKey: OLVBAUVSICCWEJ-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAZ1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 483.5, ALogP 5.45, HBA 5, HBD 4, PSA 99.69, QED 0.3
Compound (SMILES): Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21
InChIKey: QEWSTOOMTBAUAG-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MARK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZI7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK2
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 386.41, ALogP 2.67, HBA 6, HBD 3, PSA 110.24, QED 0.28
Compound (SMILES): OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIKey: PDMUGYOXRHVNMO-UHFFFAOYSA-N
Target: Mitotic checkpoint serine/threonine-protein kinase BUB1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43683
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 372.39, ALogP 1.67, HBA 9, HBD 1, PSA 107.43, QED 0.5
Compound (SMILES): Cc1cc(OC2CCCC2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl
InChIKey: NJKBCVHYFWYIIQ-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 371.83, ALogP 4.28, HBA 5, HBD 2, PSA 99.93, QED 0.84
Compound (SMILES): Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1
InChIKey: IUUVJFSKAMMCEA-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 438.8, ALogP 3.4, HBA 7, HBD 4, PSA 126.05, QED 0.45
Compound (SMILES): CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12
InChIKey: SEVCBWKJSOLMNQ-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 483.64, ALogP 6.19, HBA 5, HBD 3, PSA 83.28, QED 0.29
Compound (SMILES): Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O
InChIKey: BZFGDXJGWSIYQP-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 = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 393.14, ALogP -1.38, HBA 9, HBD 4, PSA 139.54, QED 0.46
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1
InChIKey: MULNSLQVKKUPJN-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11362
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR1
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 539.67, ALogP 6.01, HBA 7, HBD 3, PSA 118.17, QED 0.24
Compound (SMILES): CCc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: KKWLJUDRBFHJPA-UHFFFAOYSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCI
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 424.46, ALogP 3.88, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccco2)C(=O)N3)c1)Cc1c[nH]c2ccccc12
InChIKey: BSFNGHCTZDCQBF-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 476.54, ALogP 5.26, HBA 5, HBD 3, PSA 106.17, QED 0.28
Compound (SMILES): O=C1NC(=S)SC1=C1C(=O)Nc2ccc(Br)cc21
InChIKey: FYYNFIZWOMBUTO-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 341.21, ALogP 2.26, HBA 4, HBD 2, PSA 58.2, QED 0.56
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(OCC(F)(F)F)nccn23)n1
InChIKey: HUXSWYWELGEQNC-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 490.46, ALogP 4.36, HBA 8, HBD 2, PSA 97.46, QED 0.35
Compound (SMILES): CC(O)Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
InChIKey: XHORJSJFHVABEA-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 502.58, ALogP 5.57, HBA 7, HBD 4, PSA 118.09, QED 0.24
Compound (SMILES): CSc1c[nH]c2ncnc(NCCCO)c12
InChIKey: MMMPFWNSQKXKDX-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 238.32, ALogP 1.47, HBA 5, HBD 3, PSA 73.83, QED 0.54
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)cc1C
InChIKey: DKSNLQYRZJKYOC-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 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 389.48, ALogP 5.2, HBA 5, HBD 3, PSA 92.93, QED 0.45
Compound (SMILES): COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1O
InChIKey: SQXSMLLCDWJNAC-UHFFFAOYSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PASK
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 326.38, ALogP 3.29, HBA 5, HBD 2, PSA 70.92, QED 0.85
Compound (SMILES): O=c1[nH]c2cnc(-n3cnc4ccc(F)cc43)nc2n1C1CCOc2c(F)cccc21
InChIKey: DBXGGXLBTWZXBB-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 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 420.38, ALogP 3.11, HBA 7, HBD 1, PSA 90.62, QED 0.47
Compound (SMILES): Cc1cn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc2c(C)n1
InChIKey: WIHAOLDOGQOGIU-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 438.48, ALogP 4.18, HBA 7, HBD 2, PSA 88.23, QED 0.47
Compound (SMILES): CC(C)Oc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: KBFBKKNSHPUFET-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MARK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZI7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 468.51, ALogP 4.35, HBA 8, HBD 2, PSA 97.46, QED 0.4
Compound (SMILES): NCCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3n[nH]c(=O)c4ccccc34)cc2)c1
InChIKey: OPLHMHMCXQXEQG-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35916
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT4
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 463.52, ALogP 2.08, HBA 6, HBD 4, PSA 147.04, QED 0.33
Compound (SMILES): Fc1ccc(-c2nc3sccn3c2-c2ccncc2)cc1
InChIKey: PYDWRLNPMMKKCI-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 295.34, ALogP 4.26, HBA 4, HBD 0, PSA 30.19, QED 0.55
Compound (SMILES): CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1
InChIKey: IJRBJCMLWLFMIN-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 236.27, ALogP 3.43, HBA 2, HBD 1, PSA 45.75, QED 0.69
Compound (SMILES): O=C(Nc1ccc(-c2cccc3sncc23)cc1)Nc1ccc(F)c(C(F)(F)F)c1
InChIKey: JCZBWICLNFNCMR-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 431.41, ALogP 6.77, HBA 3, HBD 2, PSA 54.02, QED 0.35
Compound (SMILES): COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O
InChIKey: OLVBAUVSICCWEJ-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 483.5, ALogP 5.45, HBA 5, HBD 4, PSA 99.69, QED 0.3
Compound (SMILES): Cc1cc(O)ccc1-n1cc(C(=O)NN)c(=O)c2ccc(-c3ccncc3)cc21
InChIKey: QEWSTOOMTBAUAG-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE63
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK4
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 386.41, ALogP 2.67, HBA 6, HBD 3, PSA 110.24, QED 0.28
Compound (SMILES): OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIKey: PDMUGYOXRHVNMO-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry.
Measurement: Kd > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 372.39, ALogP 1.67, HBA 9, HBD 1, PSA 107.43, QED 0.5
Compound (SMILES): Cc1cc(OC2CCCC2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl
InChIKey: NJKBCVHYFWYIIQ-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 371.83, ALogP 4.28, HBA 5, HBD 2, PSA 99.93, QED 0.84
Compound (SMILES): Nc1ncnc(Nc2cc(CNC(=O)C(F)(F)F)c(O)c(-c3ccc(Cl)cc3)c2)n1
InChIKey: IUUVJFSKAMMCEA-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 438.8, ALogP 3.4, HBA 7, HBD 4, PSA 126.05, QED 0.45
Compound (SMILES): CCN(CC)CC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12
InChIKey: SEVCBWKJSOLMNQ-UHFFFAOYSA-N
Target: LIM domain kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53667
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LIMK1
Measurement: Ki = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 483.64, ALogP 6.19, HBA 5, HBD 3, PSA 83.28, QED 0.29
Compound (SMILES): Nc1ncnc2c1c(I)nn2C1OC(CO)C(O)C1O
InChIKey: BZFGDXJGWSIYQP-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 393.14, ALogP -1.38, HBA 9, HBD 4, PSA 139.54, QED 0.46