lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: KKYPRNBBPBRJQX-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 523.52, ALogP 7.41, HBA 5, HBD 3, PSA 92.93, QED 0.21
Compound (SMILES): CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1
InChIKey: RBXYGQNZRVPDNB-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 525.64, ALogP 5.67, HBA 7, HBD 4, PSA 126.96, QED 0.23
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIKey: GPWYRDPTGJYJNL-UHFFFAOYSA-N
Target: Ephrin type-A receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29317
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EPHA2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 286.72, ALogP 2.59, HBA 4, HBD 2, PSA 87.72, QED 0.84
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1
InChIKey: IAKGNUWZPSPEKU-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 432.51, ALogP 4.79, HBA 6, HBD 4, PSA 122.03, QED 0.37
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1
InChIKey: YPJJSXBVVGPFHA-UHFFFAOYSA-N
Target: MAP kinase-interacting serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBH9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MKNK2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 346.43, ALogP 4.56, HBA 3, HBD 1, PSA 51.22, QED 0.74
Compound (SMILES): NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12
InChIKey: CWBWMDSAVFJNAD-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 263.3, ALogP 2.58, HBA 3, HBD 2, PSA 82, QED 0.7
Compound (SMILES): Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
InChIKey: ZCCJKVBTHCOISJ-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 458.52, ALogP 5.73, HBA 6, HBD 3, PSA 97.86, QED 0.32
Compound (SMILES): Nc1noc2cccc(-c3cccc(O)c3)c12
InChIKey: DJRPFIWIDKXORZ-UHFFFAOYSA-N
Target: Insulin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06213
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: INSR
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 226.24, ALogP 2.78, HBA 4, HBD 2, PSA 72.28, QED 0.67
Compound (SMILES): NC(=O)C1CCCN(C(=O)c2cc(-c3ccc4[nH]ncc4c3)on2)C1
InChIKey: NYZBKPORWJDPBX-UHFFFAOYSA-N
Target: Protein kinase C zeta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCZ
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 339.36, ALogP 1.56, HBA 5, HBD 2, PSA 118.11, QED 0.75
Compound (SMILES): COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O
InChIKey: JOIUJUJSHIHBDT-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 326.38, ALogP 3.29, HBA 5, HBD 2, PSA 70.92, QED 0.85
Compound (SMILES): O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1
InChIKey: NPLQZQGAZAUUTB-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 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 345.2, ALogP 3.65, HBA 2, HBD 3, PSA 69.81, QED 0.68
Compound (SMILES): CCCOc1nc(NC(C)=O)cc(N)c1C#N
InChIKey: KCHJYXDFJPRQHV-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: Q13555
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2G
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 234.26, ALogP 1.28, HBA 5, HBD 2, PSA 101.03, QED 0.82
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3
InChIKey: YRWZRNPWLKELTF-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 323.38, ALogP 2.57, HBA 6, HBD 1, PSA 75.94, QED 0.58
Compound (SMILES): COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: ZMNWFTYYYCSSTF-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 621.75, ALogP 4.48, HBA 10, HBD 2, PSA 136.43, QED 0.28
Compound (SMILES): Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12
InChIKey: YWTBGJGMTBHQTM-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 397.48, ALogP 4.36, HBA 4, HBD 3, PSA 92.61, QED 0.4
Compound (SMILES): CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12
InChIKey: BHGSKYNWCFIOHP-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EGFR
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 310.36, ALogP 3.37, HBA 5, HBD 1, PSA 76.88, QED 0.8
Compound (SMILES): NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1
InChIKey: PJUVRETYCLPAFV-UHFFFAOYSA-N
Target: MAP/microtubule affinity-regulating kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P27448
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK3
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 272.3, ALogP 3.2, HBA 3, HBD 1, PSA 55.98, QED 0.78
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1
InChIKey: JXNMCDLXYWQTIW-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 439.44, ALogP 5.88, HBA 2, HBD 3, PSA 70.23, QED 0.48
Compound (SMILES): CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br
InChIKey: YADXIKLQVVBNLC-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 590.5, ALogP 3.31, HBA 9, HBD 3, PSA 128.79, QED 0.36
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)cc2)c1
InChIKey: XNLJDUXNZQBRSE-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 345.4, ALogP 4.4, HBA 2, HBD 3, PSA 84.22, QED 0.65
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)C(=O)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: FXGYCYAFWHJUAS-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 438.44, ALogP 3.96, HBA 7, HBD 2, PSA 105.3, QED 0.47
Compound (SMILES): Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1
InChIKey: MGNQNQOSSLCUFP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk2 (SINGLE PROTEIN), Homo sapiens
UniProt: O96017
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 378.41, ALogP 3.35, HBA 7, HBD 2, PSA 80.28, QED 0.57
Compound (SMILES): CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1
InChIKey: NPJROAJIXPVMTE-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 > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 428.5, ALogP 2.39, HBA 8, HBD 2, PSA 104.68, QED 0.5
Compound (SMILES): Cc1cccc(-c2c(-c3ccncc3)nc(NCC(N)Cc3ccccc3)n(C)c2=O)c1
InChIKey: PEEMSUJXJVLHFP-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 > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 425.54, ALogP 3.8, HBA 6, HBD 2, PSA 85.83, QED 0.47
Compound (SMILES): COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: SPYHMOFSJGTUNP-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 > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 364.38, ALogP 3.05, HBA 7, HBD 1, PSA 77.23, QED 0.53
Compound (SMILES): O=C1NN=Cc2c[nH]c3cc(NC(=O)C4CC4c4ccccc4)cc1c23
InChIKey: ZKHDDJKHTPLPOQ-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 344.37, ALogP 2.99, HBA 3, HBD 3, PSA 86.35, QED 0.68
Compound (SMILES): CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21
InChIKey: KCLZJAVIQDVQCK-UHFFFAOYSA-N
Target: Insulin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06213
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: INSR
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 497.53, ALogP 2.42, HBA 10, HBD 3, PSA 162.48, QED 0.34
Compound (SMILES): Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1
InChIKey: CKVWQORGCCEYHS-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 379.46, ALogP 3.71, HBA 7, HBD 3, PSA 96.01, QED 0.56
Compound (SMILES): S=c1[nH]nc2c3c4c(sc3n3c(=S)[nH]nc3n12)CCC4
InChIKey: VNGYQBMDQMDALH-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk2 (SINGLE PROTEIN), Homo sapiens
UniProt: O96017
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK2
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 320.43, ALogP 2.8, HBA 7, HBD 2, PSA 66.18, QED 0.49
Compound (SMILES): CC(C)N(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1
InChIKey: UPPGGRZNGRFDAU-UHFFFAOYSA-N
Target: Ephrin type-A receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29317
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EPHA2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 374.45, ALogP 3.35, HBA 5, HBD 1, PSA 79.7, QED 0.58
Compound (SMILES): Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1
InChIKey: XFWUTMHVDGPWLH-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 334.81, ALogP 4.89, HBA 3, HBD 2, PSA 53.6, QED 0.52
Compound (SMILES): N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIKey: BLTVBQXJFVRPFK-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 334.38, ALogP 2.64, HBA 5, HBD 2, PSA 85.17, QED 0.77
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1
InChIKey: ICDHVAJOGIGIOI-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 426.88, ALogP 4.08, HBA 7, HBD 2, PSA 88.23, QED 0.48
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F
InChIKey: JIFGOPCFXJIPNK-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 350.39, ALogP 3.22, HBA 3, HBD 2, PSA 62.22, QED 0.72
Compound (SMILES): c1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1
InChIKey: ISEDKXOMRIKZPK-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 > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 283.34, ALogP 2.25, HBA 5, HBD 1, PSA 68.62, QED 0.8
Compound (SMILES): CC1CCN(C(=O)CO)CC1N(C)c1ncnc2[nH]ccc12
InChIKey: CCOHWQFOFWCBMH-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3A
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 303.37, ALogP 0.62, HBA 5, HBD 2, PSA 85.35, QED 0.87
Compound (SMILES): Cc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12
InChIKey: AGYRJOAGMDIFKL-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14012
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 410.4, ALogP 6.2, HBA 2, HBD 3, PSA 69.81, QED 0.38
Compound (SMILES): Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: KKYPRNBBPBRJQX-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IGF1R
Measurement: Ki > 1000 nM (pChEMBL 6)
Descriptors: MW 523.52, ALogP 7.41, HBA 5, HBD 3, PSA 92.93, QED 0.21
Compound (SMILES): CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIKey: HEUSUIRCBWROMH-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G3
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 290.37, ALogP 4.4, HBA 2, HBD 2, PSA 57.36, QED 0.55
Compound (SMILES): CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1
InChIKey: RBXYGQNZRVPDNB-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase N2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PKN2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 525.64, ALogP 5.67, HBA 7, HBD 4, PSA 126.96, QED 0.23
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIKey: GPWYRDPTGJYJNL-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 286.72, ALogP 2.59, HBA 4, HBD 2, PSA 87.72, QED 0.84
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1
InChIKey: IAKGNUWZPSPEKU-UHFFFAOYSA-N
Target: Ephrin type-A receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29317
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EPHA2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 432.51, ALogP 4.79, HBA 6, HBD 4, PSA 122.03, QED 0.37
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1
InChIKey: YPJJSXBVVGPFHA-UHFFFAOYSA-N
Target: Ephrin type-A receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29317
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EPHA2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 346.43, ALogP 4.56, HBA 3, HBD 1, PSA 51.22, QED 0.74
Compound (SMILES): NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12
InChIKey: CWBWMDSAVFJNAD-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11362
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR1
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 263.3, ALogP 2.58, HBA 3, HBD 2, PSA 82, QED 0.7
Compound (SMILES): Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
InChIKey: ZCCJKVBTHCOISJ-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 458.52, ALogP 5.73, HBA 6, HBD 3, PSA 97.86, QED 0.32
Compound (SMILES): Nc1noc2cccc(-c3cccc(O)c3)c12
InChIKey: DJRPFIWIDKXORZ-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EGFR
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 226.24, ALogP 2.78, HBA 4, HBD 2, PSA 72.28, QED 0.67
Compound (SMILES): NC(=O)C1CCCN(C(=O)c2cc(-c3ccc4[nH]ncc4c3)on2)C1
InChIKey: NYZBKPORWJDPBX-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 339.36, ALogP 1.56, HBA 5, HBD 2, PSA 118.11, QED 0.75
Compound (SMILES): COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O
InChIKey: JOIUJUJSHIHBDT-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 326.38, ALogP 3.29, HBA 5, HBD 2, PSA 70.92, QED 0.85
Compound (SMILES): O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1
InChIKey: NPLQZQGAZAUUTB-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 345.2, ALogP 3.65, HBA 2, HBD 3, PSA 69.81, QED 0.68
Compound (SMILES): CCCOc1nc(NC(C)=O)cc(N)c1C#N
InChIKey: KCHJYXDFJPRQHV-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P78368
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 234.26, ALogP 1.28, HBA 5, HBD 2, PSA 101.03, QED 0.82
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3
InChIKey: YRWZRNPWLKELTF-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 323.38, ALogP 2.57, HBA 6, HBD 1, PSA 75.94, QED 0.58
Compound (SMILES): COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: ZMNWFTYYYCSSTF-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 621.75, ALogP 4.48, HBA 10, HBD 2, PSA 136.43, QED 0.28
Compound (SMILES): Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12
InChIKey: YWTBGJGMTBHQTM-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 397.48, ALogP 4.36, HBA 4, HBD 3, PSA 92.61, QED 0.4
Compound (SMILES): CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12
InChIKey: BHGSKYNWCFIOHP-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 310.36, ALogP 3.37, HBA 5, HBD 1, PSA 76.88, QED 0.8
Compound (SMILES): NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1
InChIKey: PJUVRETYCLPAFV-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: O15111
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHUK
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 272.3, ALogP 3.2, HBA 3, HBD 1, PSA 55.98, QED 0.78
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1
InChIKey: JXNMCDLXYWQTIW-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXA7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22D
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 439.44, ALogP 5.88, HBA 2, HBD 3, PSA 70.23, QED 0.48
Compound (SMILES): CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br
InChIKey: YADXIKLQVVBNLC-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 2-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q14289
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2B
Measurement: Ki = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 590.5, ALogP 3.31, HBA 9, HBD 3, PSA 128.79, QED 0.36
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)cc2)c1
InChIKey: XNLJDUXNZQBRSE-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXA7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22D
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 345.4, ALogP 4.4, HBA 2, HBD 3, PSA 84.22, QED 0.65
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)C(=O)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: FXGYCYAFWHJUAS-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXA7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22D
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 438.44, ALogP 3.96, HBA 7, HBD 2, PSA 105.3, QED 0.47
Compound (SMILES): Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1
InChIKey: MGNQNQOSSLCUFP-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 378.41, ALogP 3.35, HBA 7, HBD 2, PSA 80.28, QED 0.57
Compound (SMILES): CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1
InChIKey: NPJROAJIXPVMTE-UHFFFAOYSA-N
Target: Insulin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06213
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: INSR
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 428.5, ALogP 2.39, HBA 8, HBD 2, PSA 104.68, QED 0.5
Compound (SMILES): Cc1cccc(-c2c(-c3ccncc3)nc(NCC(N)Cc3ccccc3)n(C)c2=O)c1
InChIKey: PEEMSUJXJVLHFP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 425.54, ALogP 3.8, HBA 6, HBD 2, PSA 85.83, QED 0.47
Compound (SMILES): COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: SPYHMOFSJGTUNP-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11362
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR1
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 364.38, ALogP 3.05, HBA 7, HBD 1, PSA 77.23, QED 0.53
Compound (SMILES): O=C1NN=Cc2c[nH]c3cc(NC(=O)C4CC4c4ccccc4)cc1c23
InChIKey: ZKHDDJKHTPLPOQ-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 344.37, ALogP 2.99, HBA 3, HBD 3, PSA 86.35, QED 0.68
Compound (SMILES): CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21
InChIKey: KCLZJAVIQDVQCK-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 497.53, ALogP 2.42, HBA 10, HBD 3, PSA 162.48, QED 0.34
Compound (SMILES): Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1
InChIKey: CKVWQORGCCEYHS-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3A
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 379.46, ALogP 3.71, HBA 7, HBD 3, PSA 96.01, QED 0.56
Compound (SMILES): S=c1[nH]nc2c3c4c(sc3n3c(=S)[nH]nc3n12)CCC4
InChIKey: VNGYQBMDQMDALH-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 320.43, ALogP 2.8, HBA 7, HBD 2, PSA 66.18, QED 0.49
Compound (SMILES): CC(C)N(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1
InChIKey: UPPGGRZNGRFDAU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk2 (SINGLE PROTEIN), Homo sapiens
UniProt: O96017
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 374.45, ALogP 3.35, HBA 5, HBD 1, PSA 79.7, QED 0.58
Compound (SMILES): Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1
InChIKey: XFWUTMHVDGPWLH-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 334.81, ALogP 4.89, HBA 3, HBD 2, PSA 53.6, QED 0.52
Compound (SMILES): N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIKey: BLTVBQXJFVRPFK-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 334.38, ALogP 2.64, HBA 5, HBD 2, PSA 85.17, QED 0.77
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1
InChIKey: ICDHVAJOGIGIOI-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 426.88, ALogP 4.08, HBA 7, HBD 2, PSA 88.23, QED 0.48
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F
InChIKey: JIFGOPCFXJIPNK-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 350.39, ALogP 3.22, HBA 3, HBD 2, PSA 62.22, QED 0.72
Compound (SMILES): c1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1
InChIKey: ISEDKXOMRIKZPK-UHFFFAOYSA-N
Target: Insulin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06213
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: INSR
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 283.34, ALogP 2.25, HBA 5, HBD 1, PSA 68.62, QED 0.8
Compound (SMILES): CC1CCN(C(=O)CO)CC1N(C)c1ncnc2[nH]ccc12
InChIKey: CCOHWQFOFWCBMH-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00535
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 303.37, ALogP 0.62, HBA 5, HBD 2, PSA 85.35, QED 0.87
Compound (SMILES): Cc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12
InChIKey: AGYRJOAGMDIFKL-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 410.4, ALogP 6.2, HBA 2, HBD 3, PSA 69.81, QED 0.38
Compound (SMILES): Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: KKYPRNBBPBRJQX-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 523.52, ALogP 7.41, HBA 5, HBD 3, PSA 92.93, QED 0.21
Compound (SMILES): CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1
InChIKey: RBXYGQNZRVPDNB-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 2-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q14289
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2B
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 525.64, ALogP 5.67, HBA 7, HBD 4, PSA 126.96, QED 0.23
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIKey: GPWYRDPTGJYJNL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk2 (SINGLE PROTEIN), Homo sapiens
UniProt: O96017
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 286.72, ALogP 2.59, HBA 4, HBD 2, PSA 87.72, QED 0.84
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1
InChIKey: IAKGNUWZPSPEKU-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13882
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK6
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 432.51, ALogP 4.79, HBA 6, HBD 4, PSA 122.03, QED 0.37
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1
InChIKey: YPJJSXBVVGPFHA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D3 (SINGLE PROTEIN), Homo sapiens
UniProt: O94806
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCN
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 346.43, ALogP 4.56, HBA 3, HBD 1, PSA 51.22, QED 0.74
Compound (SMILES): NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12
InChIKey: CWBWMDSAVFJNAD-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3A
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 263.3, ALogP 2.58, HBA 3, HBD 2, PSA 82, QED 0.7
Compound (SMILES): Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
InChIKey: ZCCJKVBTHCOISJ-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT3
Measurement: Ki = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 458.52, ALogP 5.73, HBA 6, HBD 3, PSA 97.86, QED 0.32
Compound (SMILES): Nc1noc2cccc(-c3cccc(O)c3)c12
InChIKey: DJRPFIWIDKXORZ-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 226.24, ALogP 2.78, HBA 4, HBD 2, PSA 72.28, QED 0.67
Compound (SMILES): NC(=O)C1CCCN(C(=O)c2cc(-c3ccc4[nH]ncc4c3)on2)C1
InChIKey: NYZBKPORWJDPBX-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 339.36, ALogP 1.56, HBA 5, HBD 2, PSA 118.11, QED 0.75
Compound (SMILES): COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O
InChIKey: JOIUJUJSHIHBDT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM3
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 326.38, ALogP 3.29, HBA 5, HBD 2, PSA 70.92, QED 0.85
Compound (SMILES): O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1
InChIKey: NPLQZQGAZAUUTB-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 345.2, ALogP 3.65, HBA 2, HBD 3, PSA 69.81, QED 0.68
Compound (SMILES): CCCOc1nc(NC(C)=O)cc(N)c1C#N
InChIKey: KCHJYXDFJPRQHV-UHFFFAOYSA-N
Target: RAC-gamma serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y243
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 234.26, ALogP 1.28, HBA 5, HBD 2, PSA 101.03, QED 0.82
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3
InChIKey: YRWZRNPWLKELTF-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 323.38, ALogP 2.57, HBA 6, HBD 1, PSA 75.94, QED 0.58
Compound (SMILES): COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: ZMNWFTYYYCSSTF-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 621.75, ALogP 4.48, HBA 10, HBD 2, PSA 136.43, QED 0.28
Compound (SMILES): Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12
InChIKey: YWTBGJGMTBHQTM-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 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 397.48, ALogP 4.36, HBA 4, HBD 3, PSA 92.61, QED 0.4
Compound (SMILES): CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12
InChIKey: BHGSKYNWCFIOHP-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13882
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK6
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 310.36, ALogP 3.37, HBA 5, HBD 1, PSA 76.88, QED 0.8
Compound (SMILES): NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1
InChIKey: PJUVRETYCLPAFV-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 272.3, ALogP 3.2, HBA 3, HBD 1, PSA 55.98, QED 0.78
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1
InChIKey: JXNMCDLXYWQTIW-UHFFFAOYSA-N
Target: MAP kinase-interacting serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBH9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MKNK2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 439.44, ALogP 5.88, HBA 2, HBD 3, PSA 70.23, QED 0.48
Compound (SMILES): CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br
InChIKey: YADXIKLQVVBNLC-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 590.5, ALogP 3.31, HBA 9, HBD 3, PSA 128.79, QED 0.36
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)cc2)c1
InChIKey: XNLJDUXNZQBRSE-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 345.4, ALogP 4.4, HBA 2, HBD 3, PSA 84.22, QED 0.65
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)C(=O)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: FXGYCYAFWHJUAS-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13882
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK6
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 438.44, ALogP 3.96, HBA 7, HBD 2, PSA 105.3, QED 0.47
Compound (SMILES): Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1
InChIKey: MGNQNQOSSLCUFP-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 378.41, ALogP 3.35, HBA 7, HBD 2, PSA 80.28, QED 0.57
Compound (SMILES): CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1
InChIKey: NPJROAJIXPVMTE-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 428.5, ALogP 2.39, HBA 8, HBD 2, PSA 104.68, QED 0.5
Compound (SMILES): Cc1cccc(-c2c(-c3ccncc3)nc(NCC(N)Cc3ccccc3)n(C)c2=O)c1
InChIKey: PEEMSUJXJVLHFP-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 425.54, ALogP 3.8, HBA 6, HBD 2, PSA 85.83, QED 0.47
Compound (SMILES): COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: SPYHMOFSJGTUNP-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 364.38, ALogP 3.05, HBA 7, HBD 1, PSA 77.23, QED 0.53
Compound (SMILES): O=C1NN=Cc2c[nH]c3cc(NC(=O)C4CC4c4ccccc4)cc1c23
InChIKey: ZKHDDJKHTPLPOQ-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 344.37, ALogP 2.99, HBA 3, HBD 3, PSA 86.35, QED 0.68
Compound (SMILES): CC(C)(C)OC(=O)n1ncc2cc(Nc3c(NCc4ccc(S(N)(=O)=O)cc4)c(=O)c3=O)ccc21
InChIKey: KCLZJAVIQDVQCK-UHFFFAOYSA-N
Target: MAP kinase-interacting serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBH9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MKNK2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 497.53, ALogP 2.42, HBA 10, HBD 3, PSA 162.48, QED 0.34
Compound (SMILES): Cc1cccc(Nc2nccc(Nc3c(NC(C)C(C)(C)C)c(=O)c3=O)n2)c1
InChIKey: CKVWQORGCCEYHS-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 379.46, ALogP 3.71, HBA 7, HBD 3, PSA 96.01, QED 0.56
Compound (SMILES): S=c1[nH]nc2c3c4c(sc3n3c(=S)[nH]nc3n12)CCC4
InChIKey: VNGYQBMDQMDALH-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXA7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22D
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 320.43, ALogP 2.8, HBA 7, HBD 2, PSA 66.18, QED 0.49
Compound (SMILES): CC(C)N(C)C(=O)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1
InChIKey: UPPGGRZNGRFDAU-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 374.45, ALogP 3.35, HBA 5, HBD 1, PSA 79.7, QED 0.58
Compound (SMILES): Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1
InChIKey: XFWUTMHVDGPWLH-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 = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 334.81, ALogP 4.89, HBA 3, HBD 2, PSA 53.6, QED 0.52
Compound (SMILES): N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIKey: BLTVBQXJFVRPFK-UHFFFAOYSA-N
Target: Macrophage-stimulating protein receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q04912
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MST1R
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 334.38, ALogP 2.64, HBA 5, HBD 2, PSA 85.17, QED 0.77
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1
InChIKey: ICDHVAJOGIGIOI-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 426.88, ALogP 4.08, HBA 7, HBD 2, PSA 88.23, QED 0.48
Compound (SMILES): O=C(NC(CO)Cc1ccccc1)c1ccc(-c2ccncc2)cc1F
InChIKey: JIFGOPCFXJIPNK-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lck (SINGLE PROTEIN), Homo sapiens
UniProt: P06239
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LCK
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 350.39, ALogP 3.22, HBA 3, HBD 2, PSA 62.22, QED 0.72
Compound (SMILES): c1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1
InChIKey: ISEDKXOMRIKZPK-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 283.34, ALogP 2.25, HBA 5, HBD 1, PSA 68.62, QED 0.8
Compound (SMILES): CC1CCN(C(=O)CO)CC1N(C)c1ncnc2[nH]ccc12
InChIKey: CCOHWQFOFWCBMH-UHFFFAOYSA-N
Target: Aurora kinase B (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GD4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK12
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 303.37, ALogP 0.62, HBA 5, HBD 2, PSA 85.35, QED 0.87
Compound (SMILES): Cc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12
InChIKey: AGYRJOAGMDIFKL-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 410.4, ALogP 6.2, HBA 2, HBD 3, PSA 69.81, QED 0.38
Compound (SMILES): Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: KKYPRNBBPBRJQX-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 523.52, ALogP 7.41, HBA 5, HBD 3, PSA 92.93, QED 0.21
Compound (SMILES): CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIKey: HEUSUIRCBWROMH-UHFFFAOYSA-N
Target: Megakaryocyte-associated tyrosine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P42679
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MATK
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 290.37, ALogP 4.4, HBA 2, HBD 2, PSA 57.36, QED 0.55
Compound (SMILES): CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1
InChIKey: RBXYGQNZRVPDNB-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 525.64, ALogP 5.67, HBA 7, HBD 4, PSA 126.96, QED 0.23
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIKey: GPWYRDPTGJYJNL-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 > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 286.72, ALogP 2.59, HBA 4, HBD 2, PSA 87.72, QED 0.84
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1
InChIKey: IAKGNUWZPSPEKU-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 = 1.585 nM (pChEMBL 8.800000190734863)
Descriptors: MW 432.51, ALogP 4.79, HBA 6, HBD 4, PSA 122.03, QED 0.37