lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCCC/N=C1\C(=O)N(C)c2cccc3c(O)c4ccccc4c1c23
InChIKey: DLBGBJXPKUBMKV-QOCHGBHMSA-N
Target: Insulin-degrading enzyme (SINGLE PROTEIN), Homo sapiens
UniProt: P14735
Assay: PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588439, AID588440, AID588442]
Measurement: EC50 > 54690 nM (pChEMBL 4.26200008392334)
Descriptors: MW 332.4, ALogP 4.26, HBA 3, HBD 1, PSA 52.9, QED 0.58
Compound (SMILES): C/C(=N/NC(=O)c1cc2ccccc2cc1O)C1C(=O)c2ccccc2C1=O
InChIKey: GRNOUCSASKXWNP-FMCGGJTJSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 372.38, ALogP 3.35, HBA 5, HBD 2, PSA 95.83, QED 0.42
Compound (SMILES): Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1
InChIKey: UEWCRBHXCIZHHV-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 427.54, ALogP 6.78, HBA 2, HBD 2, PSA 62.32, QED 0.32
Compound (SMILES): Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1
InChIKey: TXHOCWWJSGCZLC-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 390.42, ALogP 4.68, HBA 5, HBD 3, PSA 107.17, QED 0.44
Compound (SMILES): CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C
InChIKey: WINHZLLDWRZWRT-UHFFFAOYSA-N
Target: Phosphorylase b kinase gamma catalytic chain, liver/testis isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P15735
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PHKG2
Measurement: Ki = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 398.48, ALogP 3.33, HBA 3, HBD 3, PSA 77.23, QED 0.63
Compound (SMILES): Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1
InChIKey: FGWOKLCRQJXPPQ-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCP0
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G1
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 360.4, ALogP 3.81, HBA 6, HBD 1, PSA 68, QED 0.59
Compound (SMILES): OCCNc1cc2cc(-c3cccnc3)ccc2cn1
InChIKey: ODNOTLMFNVWFTJ-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 265.32, ALogP 2.7, HBA 4, HBD 2, PSA 58.04, QED 0.76
Compound (SMILES): Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12
InChIKey: CHTMRWQLNNRRFJ-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 427.34, ALogP 5.19, HBA 4, HBD 2, PSA 76.82, QED 0.44
Compound (SMILES): COc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC
InChIKey: ZGZVRPRSFXRGCF-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P45983
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK8
Measurement: Ki = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 454.49, ALogP 4.14, HBA 7, HBD 2, PSA 106.95, QED 0.38
Compound (SMILES): Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIKey: CQFVDHNTTRWVQD-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23443
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KB1
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 453.59, ALogP 5.15, HBA 6, HBD 1, PSA 68.68, QED 0.42
Compound (SMILES): Cc1ccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)cc1
InChIKey: PTSPERXSBKTNTF-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q13627
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1A
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 339.78, ALogP 3.85, HBA 5, HBD 1, PSA 60.05, QED 0.54
Compound (SMILES): COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O
InChIKey: FSYMYDRMUOJVKB-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 388.34, ALogP -0.06, HBA 12, HBD 4, PSA 186.8, QED 0.33
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1
InChIKey: PFCUZXCHLYIMTJ-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23443
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KB1
Measurement: Ki = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 380.42, ALogP 4.4, HBA 4, HBD 1, PSA 60.45, QED 0.69
Compound (SMILES): CC(C)/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1
InChIKey: AMRJMRWUBAZBKA-LDRVEFRDSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 1412.5 nM (pChEMBL 5.849999904632568)
Descriptors: MW 343.41, ALogP 3.41, HBA 7, HBD 2, PSA 83.25, QED 0.56
Compound (SMILES): Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl
InChIKey: XPPLYAKZGXYPOZ-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23443
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KB1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 429.86, ALogP 3.83, HBA 6, HBD 3, PSA 137.23, QED 0.63
Compound (SMILES): COc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OC(C)C(=O)O
InChIKey: WPHNXQHKYUSFKZ-LDNBCZFNSA-N
Target: Phospholipase A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P04054
Assay: PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS hits for ATG4B inhibitors in a Phospholipase A2 assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504462, AID504475]
Measurement: IC50 = 5470 nM (pChEMBL 5.260000228881836)
Descriptors: MW 541.63, ALogP 5.88, HBA 6, HBD 2, PSA 104.22, QED 0.26
Compound (SMILES): CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21
InChIKey: SHNZBTHVGXHLLD-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 363.41, ALogP 2.04, HBA 6, HBD 2, PSA 88.56, QED 0.85
Compound (SMILES): COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: UQNNJYLAPYGZBD-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 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 568.7, ALogP 4.99, HBA 8, HBD 3, PSA 114.51, QED 0.22
Compound (SMILES): c1ccc2c(c1)Cc1c[nH]nc1-2
InChIKey: DGYDIEIMGSEYDK-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 = 39810.72 nM (pChEMBL 4.400000095367432)
Descriptors: MW 156.19, ALogP 1.98, HBA 1, HBD 1, PSA 28.68, QED 0.53
Compound (SMILES): Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12
InChIKey: NMHMCXTYPRADBA-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1D (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IU85
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1D
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 252.32, ALogP 3.51, HBA 2, HBD 1, PSA 45.75, QED 0.67
Compound (SMILES): Cn1cc(-c2ccncn2)c(-c2ccc(F)cc2)n1
InChIKey: JZVUYHDTYQWBFB-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 254.27, ALogP 2.68, HBA 4, HBD 0, PSA 43.6, QED 0.71
Compound (SMILES): NCCOc1cncc(C=Cc2ccncc2)c1
InChIKey: ZMBDLCDLIZXFHY-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4K4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K5
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 241.29, ALogP 1.98, HBA 4, HBD 1, PSA 61.03, QED 0.87
Compound (SMILES): Cc1c(-c2ccc3[nH]nc(N)c3c2)nnn1Cc1ccccc1
InChIKey: UTFXYGYVDDLJER-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 304.36, ALogP 2.76, HBA 5, HBD 2, PSA 85.41, QED 0.61
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1
InChIKey: VKBFHTIUXUCYRQ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O95819
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K4
Measurement: Ki = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 498.61, ALogP 5.74, HBA 7, HBD 4, PSA 118.09, QED 0.24
Compound (SMILES): N#CC1=C(N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1
InChIKey: XIOOJUQFJYPVLA-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 380.39, ALogP 0.01, HBA 8, HBD 2, PSA 141.18, QED 0.66
Compound (SMILES): O=c1[nH][nH]c2cccc(-c3ccccc3)c12
InChIKey: ILQIGZWJHNZUGE-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 > 19952.62 nM (pChEMBL 4.699999809265137)
Descriptors: MW 210.24, ALogP 2.52, HBA 1, HBD 2, PSA 48.65, QED 0.64
Compound (SMILES): O=C1/C(=N\c2cccc(O)c2)C(N2CCCCC2)=C(O)c2ccccc21
InChIKey: OSBOEEGXPMPJJY-PYCFMQQDSA-N
Target: Apoptotic protease-activating factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14727
Assay: PUBCHEM_BIOASSAY: Dose Response validation of Inhibitors of Apaf-1 using a Fluorescent Interference Counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945]
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 348.4, ALogP 4.07, HBA 5, HBD 2, PSA 73.13, QED 0.86
Compound (SMILES): Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N
InChIKey: UPITUWGOTMBQLX-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 251.25, ALogP 2.19, HBA 5, HBD 1, PSA 78.39, QED 0.67
Compound (SMILES): OCCNc1cc2cc(-c3ccccc3)ccc2cn1
InChIKey: PDZXQHANGFVRBL-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 264.33, ALogP 3.31, HBA 3, HBD 2, PSA 45.15, QED 0.76
Compound (SMILES): N#Cc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1
InChIKey: BEJCLDKQCNVTQR-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 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 419.45, ALogP 3.99, HBA 6, HBD 2, PSA 112.28, QED 0.45
Compound (SMILES): COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl
InChIKey: XCOXIWXNKPXIEK-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 381.82, ALogP 4.21, HBA 7, HBD 1, PSA 73.57, QED 0.56
Compound (SMILES): Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C(=O)O)C1
InChIKey: XNKYXYWPDUHBSC-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 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 380.27, ALogP 4.4, HBA 3, HBD 1, PSA 49.77, QED 0.81
Compound (SMILES): NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1
InChIKey: MLGGUGPIWDHBAI-UHFFFAOYSA-N
Target: cGMP-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13976
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKG1
Measurement: Ki = 1.259 nM (pChEMBL 8.899999618530273)
Descriptors: MW 317.39, ALogP 3.18, HBA 3, HBD 2, PSA 68.01, QED 0.76
Compound (SMILES): CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1)c1ccccc1
InChIKey: XBAIEEJJCJHBDL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase FRK (SINGLE PROTEIN), Homo sapiens
UniProt: P42685
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FRK
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 399.43, ALogP 5.36, HBA 6, HBD 1, PSA 68.25, QED 0.43
Compound (SMILES): Nc1n[nH]c2cccc(-c3ccc(Br)cc3)c12
InChIKey: KIOLXAWQJUDVMS-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 288.15, ALogP 3.57, HBA 2, HBD 2, PSA 54.7, QED 0.72
Compound (SMILES): O=C(Nc1n[nH]c2nc3ccccc3cc12)c1ccncc1
InChIKey: VWTSLPZPHHTWSU-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 > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 289.3, ALogP 2.76, HBA 4, HBD 2, PSA 83.56, QED 0.59
Compound (SMILES): NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12
InChIKey: CZIGMBNEFWBEMD-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 238.25, ALogP 1.72, HBA 3, HBD 2, PSA 84.66, QED 0.71
Compound (SMILES): Cn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
InChIKey: RQVKVJIRFKVPBF-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 > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 461.57, ALogP 4.64, HBA 6, HBD 2, PSA 85.83, QED 0.37
Compound (SMILES): Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIKey: DASFSPDIWCMVRW-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Inhibition of c-Met in presence of 10 uM ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 405.39, ALogP 3.35, HBA 6, HBD 4, PSA 126.44, QED 0.41
Compound (SMILES): Cc1cc(O)nc2[nH]nc(-c3cccc(-c4ccc(Cl)cc4)c3)c12
InChIKey: AESRIYKYGWVZLI-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P17612
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 335.79, ALogP 4.96, HBA 3, HBD 2, PSA 61.8, QED 0.54
Compound (SMILES): CN1C2CCC1/C(=C/c1ccccn1)C(=O)/C2=C\c1ccccn1
InChIKey: JMGRVFAALAEULJ-MCOFMCJXSA-N
Target: Paired box protein Pax-8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06710
Assay: PubChem BioAssay. HTS for PAX8 inhibitors using PAX8 luciferase reporter gene assay in RMG-I cells Measured in Cell-Based System Using Plate Reader - 7054-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) 
Measurement: AC50 = 852 nM (pChEMBL 6.070000171661377)
Descriptors: MW 317.39, ALogP 2.99, HBA 4, HBD 0, PSA 46.09, QED 0.8
Compound (SMILES): CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1
InChIKey: MHHTXOIOMYDUOQ-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51617
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK1
Measurement: Ki = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 388.43, ALogP 5.76, HBA 2, HBD 1, PSA 28.26, QED 0.6
Compound (SMILES): CCCC/N=C1\C(=O)N(C)c2cccc3c(O)c4ccccc4c1c23
InChIKey: DLBGBJXPKUBMKV-QOCHGBHMSA-N
Target: Toll-like receptor 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NR96
Assay: PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for inhibitors of TLR9-MyD88 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]
Measurement: IC50 = 11412 nM (pChEMBL 4.940000057220459)
Descriptors: MW 332.4, ALogP 4.26, HBA 3, HBD 1, PSA 52.9, QED 0.58
Compound (SMILES): C/C(=N/NC(=O)c1cc2ccccc2cc1O)C1C(=O)c2ccccc2C1=O
InChIKey: GRNOUCSASKXWNP-FMCGGJTJSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 372.38, ALogP 3.35, HBA 5, HBD 2, PSA 95.83, QED 0.42
Compound (SMILES): Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1
InChIKey: UEWCRBHXCIZHHV-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 427.54, ALogP 6.78, HBA 2, HBD 2, PSA 62.32, QED 0.32
Compound (SMILES): Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1
InChIKey: TXHOCWWJSGCZLC-UHFFFAOYSA-N
Target: Rho-associated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75116
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK2
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 390.42, ALogP 4.68, HBA 5, HBD 3, PSA 107.17, QED 0.44
Compound (SMILES): CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C
InChIKey: WINHZLLDWRZWRT-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23443
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KB1
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 398.48, ALogP 3.33, HBA 3, HBD 3, PSA 77.23, QED 0.63
Compound (SMILES): Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1
InChIKey: FGWOKLCRQJXPPQ-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 360.4, ALogP 3.81, HBA 6, HBD 1, PSA 68, QED 0.59
Compound (SMILES): OCCNc1cc2cc(-c3cccnc3)ccc2cn1
InChIKey: ODNOTLMFNVWFTJ-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 265.32, ALogP 2.7, HBA 4, HBD 2, PSA 58.04, QED 0.76
Compound (SMILES): Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12
InChIKey: CHTMRWQLNNRRFJ-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 427.34, ALogP 5.19, HBA 4, HBD 2, PSA 76.82, QED 0.44
Compound (SMILES): COc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC
InChIKey: ZGZVRPRSFXRGCF-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 454.49, ALogP 4.14, HBA 7, HBD 2, PSA 106.95, QED 0.38
Compound (SMILES): Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIKey: CQFVDHNTTRWVQD-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 453.59, ALogP 5.15, HBA 6, HBD 1, PSA 68.68, QED 0.42
Compound (SMILES): Cc1ccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)cc1
InChIKey: PTSPERXSBKTNTF-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23443
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KB1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 339.78, ALogP 3.85, HBA 5, HBD 1, PSA 60.05, QED 0.54
Compound (SMILES): COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O
InChIKey: FSYMYDRMUOJVKB-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 388.34, ALogP -0.06, HBA 12, HBD 4, PSA 186.8, QED 0.33
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1
InChIKey: PFCUZXCHLYIMTJ-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 380.42, ALogP 4.4, HBA 4, HBD 1, PSA 60.45, QED 0.69
Compound (SMILES): CC(C)/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1
InChIKey: AMRJMRWUBAZBKA-LDRVEFRDSA-N
Target: Rac GTPase-activating protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0H5
Assay: PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) 
Measurement: IC50  56280 nM (pChEMBL 4.25)
Descriptors: MW 343.41, ALogP 3.41, HBA 7, HBD 2, PSA 83.25, QED 0.56
Compound (SMILES): Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl
InChIKey: XPPLYAKZGXYPOZ-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 429.86, ALogP 3.83, HBA 6, HBD 3, PSA 137.23, QED 0.63
Compound (SMILES): COc1cc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OC(C)C(=O)O
InChIKey: WPHNXQHKYUSFKZ-LDNBCZFNSA-N
Target: Huntingtin (SINGLE PROTEIN), Homo sapiens
UniProt: P42858
Assay: PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 541.63, ALogP 5.88, HBA 6, HBD 2, PSA 104.22, QED 0.26
Compound (SMILES): CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21
InChIKey: SHNZBTHVGXHLLD-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 363.41, ALogP 2.04, HBA 6, HBD 2, PSA 88.56, QED 0.85
Compound (SMILES): COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: UQNNJYLAPYGZBD-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BTK
Measurement: Ki = 12.59 nM (pChEMBL 7.900000095367432)
Descriptors: MW 568.7, ALogP 4.99, HBA 8, HBD 3, PSA 114.51, QED 0.22
Compound (SMILES): c1ccc2c(c1)Cc1c[nH]nc1-2
InChIKey: DGYDIEIMGSEYDK-UHFFFAOYSA-N
Target: Death-associated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43293
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3
Measurement: Ki = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 156.19, ALogP 1.98, HBA 1, HBD 1, PSA 28.68, QED 0.53
Compound (SMILES): Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12
InChIKey: NMHMCXTYPRADBA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 252.32, ALogP 3.51, HBA 2, HBD 1, PSA 45.75, QED 0.67
Compound (SMILES): Cn1cc(-c2ccncn2)c(-c2ccc(F)cc2)n1
InChIKey: JZVUYHDTYQWBFB-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 254.27, ALogP 2.68, HBA 4, HBD 0, PSA 43.6, QED 0.71
Compound (SMILES): NCCOc1cncc(C=Cc2ccncc2)c1
InChIKey: ZMBDLCDLIZXFHY-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 241.29, ALogP 1.98, HBA 4, HBD 1, PSA 61.03, QED 0.87
Compound (SMILES): Cc1c(-c2ccc3[nH]nc(N)c3c2)nnn1Cc1ccccc1
InChIKey: UTFXYGYVDDLJER-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBY8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SGK
Measurement: Ki = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 304.36, ALogP 2.76, HBA 5, HBD 2, PSA 85.41, QED 0.61
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1
InChIKey: VKBFHTIUXUCYRQ-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q13627
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1A
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 498.61, ALogP 5.74, HBA 7, HBD 4, PSA 118.09, QED 0.24
Compound (SMILES): N#CC1=C(N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1
InChIKey: XIOOJUQFJYPVLA-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 380.39, ALogP 0.01, HBA 8, HBD 2, PSA 141.18, QED 0.66
Compound (SMILES): O=c1[nH][nH]c2cccc(-c3ccccc3)c12
InChIKey: ILQIGZWJHNZUGE-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 = 39810.72 nM (pChEMBL 4.400000095367432)
Descriptors: MW 210.24, ALogP 2.52, HBA 1, HBD 2, PSA 48.65, QED 0.64
Compound (SMILES): O=C1/C(=N\c2cccc(O)c2)C(N2CCCCC2)=C(O)c2ccccc21
InChIKey: OSBOEEGXPMPJJY-PYCFMQQDSA-N
Target: Protein RecA (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WHJ3
Assay: PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2097, AID2223, AID489010, AID492950]
Measurement: EC50 = 364 nM (pChEMBL 6.440000057220459)
Descriptors: MW 348.4, ALogP 4.07, HBA 5, HBD 2, PSA 73.13, QED 0.86
Compound (SMILES): Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N
InChIKey: UPITUWGOTMBQLX-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 > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 251.25, ALogP 2.19, HBA 5, HBD 1, PSA 78.39, QED 0.67
Compound (SMILES): OCCNc1cc2cc(-c3ccccc3)ccc2cn1
InChIKey: PDZXQHANGFVRBL-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 264.33, ALogP 3.31, HBA 3, HBD 2, PSA 45.15, QED 0.76
Compound (SMILES): N#Cc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1
InChIKey: BEJCLDKQCNVTQR-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2D
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 419.45, ALogP 3.99, HBA 6, HBD 2, PSA 112.28, QED 0.45
Compound (SMILES): COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl
InChIKey: XCOXIWXNKPXIEK-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 381.82, ALogP 4.21, HBA 7, HBD 1, PSA 73.57, QED 0.56
Compound (SMILES): Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C(=O)O)C1
InChIKey: XNKYXYWPDUHBSC-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 380.27, ALogP 4.4, HBA 3, HBD 1, PSA 49.77, QED 0.81
Compound (SMILES): NCC(NC(=O)c1ccc(-c2ccncc2)cc1)c1ccccc1
InChIKey: MLGGUGPIWDHBAI-UHFFFAOYSA-N
Target: cGMP-dependent protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13237
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKG2
Measurement: Ki = 2.512 nM (pChEMBL 8.600000381469727)
Descriptors: MW 317.39, ALogP 3.18, HBA 3, HBD 2, PSA 68.01, QED 0.76
Compound (SMILES): Nc1n[nH]c2cccc(-c3ccc(Br)cc3)c12
InChIKey: KIOLXAWQJUDVMS-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 288.15, ALogP 3.57, HBA 2, HBD 2, PSA 54.7, QED 0.72
Compound (SMILES): O=C(Nc1n[nH]c2nc3ccccc3cc12)c1ccncc1
InChIKey: VWTSLPZPHHTWSU-UHFFFAOYSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 289.3, ALogP 2.76, HBA 4, HBD 2, PSA 83.56, QED 0.59
Compound (SMILES): NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12
InChIKey: CZIGMBNEFWBEMD-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 238.25, ALogP 1.72, HBA 3, HBD 2, PSA 84.66, QED 0.71
Compound (SMILES): Cn1c(NCC(N)Cc2ccccc2)nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c1=O
InChIKey: RQVKVJIRFKVPBF-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 461.57, ALogP 4.64, HBA 6, HBD 2, PSA 85.83, QED 0.37
Compound (SMILES): Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIKey: DASFSPDIWCMVRW-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P45983
Assay: Inhibition of Jnk1 in presence of 10 uM ATP
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 405.39, ALogP 3.35, HBA 6, HBD 4, PSA 126.44, QED 0.41
Compound (SMILES): Cc1cc(O)nc2[nH]nc(-c3cccc(-c4ccc(Cl)cc4)c3)c12
InChIKey: AESRIYKYGWVZLI-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKE
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 335.79, ALogP 4.96, HBA 3, HBD 2, PSA 61.8, QED 0.54
Compound (SMILES): CC1CCCN1CCc1cc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2[nH]1
InChIKey: MHHTXOIOMYDUOQ-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 388.43, ALogP 5.76, HBA 2, HBD 1, PSA 28.26, QED 0.6
Compound (SMILES): CCCC/N=C1\C(=O)N(C)c2cccc3c(O)c4ccccc4c1c23
InChIKey: DLBGBJXPKUBMKV-QOCHGBHMSA-N
Target: Insulin-degrading enzyme (SINGLE PROTEIN), Homo sapiens
UniProt: P14735
Assay: PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dose response assay to identify activators of insulin-degrading enzyme (IDE). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588681]
Measurement: EC50 > 54690 nM (pChEMBL 4.26200008392334)
Descriptors: MW 332.4, ALogP 4.26, HBA 3, HBD 1, PSA 52.9, QED 0.58
Compound (SMILES): C/C(=N/NC(=O)c1cc2ccccc2cc1O)C1C(=O)c2ccccc2C1=O
InChIKey: GRNOUCSASKXWNP-FMCGGJTJSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 372.38, ALogP 3.35, HBA 5, HBD 2, PSA 95.83, QED 0.42
Compound (SMILES): Cc1cc(C)c(C)c(OCCCc2c(C(=O)O)[nH]c3c(-c4ccccc4C)cccc23)c1
InChIKey: UEWCRBHXCIZHHV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase BRSK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDC3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KIAA1811
Measurement: Ki = 10000 nM (pChEMBL 5)
Descriptors: MW 427.54, ALogP 6.78, HBA 2, HBD 2, PSA 62.32, QED 0.32
Compound (SMILES): Cc1cc(C)c2oc(Nc3ccc(-c4cccc(C(N)=O)c4N)cc3F)nc2c1
InChIKey: TXHOCWWJSGCZLC-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 390.42, ALogP 4.68, HBA 5, HBD 3, PSA 107.17, QED 0.44
Compound (SMILES): CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C
InChIKey: WINHZLLDWRZWRT-UHFFFAOYSA-N
Target: Protein kinase C delta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05655
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCD
Measurement: Ki = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 398.48, ALogP 3.33, HBA 3, HBD 3, PSA 77.23, QED 0.63
Compound (SMILES): Fc1ccc(-c2nc3cnccn3c2-c2ccnc(NCC3CC3)n2)cc1
InChIKey: FGWOKLCRQJXPPQ-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 360.4, ALogP 3.81, HBA 6, HBD 1, PSA 68, QED 0.59
Compound (SMILES): OCCNc1cc2cc(-c3cccnc3)ccc2cn1
InChIKey: ODNOTLMFNVWFTJ-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 265.32, ALogP 2.7, HBA 4, HBD 2, PSA 58.04, QED 0.76
Compound (SMILES): Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc(Cl)c(Cl)c4)c3)cc12
InChIKey: CHTMRWQLNNRRFJ-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 427.34, ALogP 5.19, HBA 4, HBD 2, PSA 76.82, QED 0.44
Compound (SMILES): COc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1OC
InChIKey: ZGZVRPRSFXRGCF-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 454.49, ALogP 4.14, HBA 7, HBD 2, PSA 106.95, QED 0.38
Compound (SMILES): Nc1nccn2c(C3CC(CN4CCCC4)C3)nc(-c3cccc(OCc4ccccc4)c3)c12
InChIKey: CQFVDHNTTRWVQD-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 453.59, ALogP 5.15, HBA 6, HBD 1, PSA 68.68, QED 0.42
Compound (SMILES): Cc1ccc(-n2nc(C)c3c(=O)c4cc(Cl)ccc4n(O)c32)cc1
InChIKey: PTSPERXSBKTNTF-UHFFFAOYSA-N
Target: Protein kinase C delta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05655
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCD
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 339.78, ALogP 3.85, HBA 5, HBD 1, PSA 60.05, QED 0.54
Compound (SMILES): COCc1nnn(-c2nonc2N)c1C(=O)NN=C(C)c1ccc(O)cc1O
InChIKey: FSYMYDRMUOJVKB-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK2
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 388.34, ALogP -0.06, HBA 12, HBD 4, PSA 186.8, QED 0.33
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1
InChIKey: PFCUZXCHLYIMTJ-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 380.42, ALogP 4.4, HBA 4, HBD 1, PSA 60.45, QED 0.69
Compound (SMILES): CC(C)/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1
InChIKey: AMRJMRWUBAZBKA-LDRVEFRDSA-N
Target: 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (SINGLE PROTEIN), Homo sapiens
UniProt: P15428
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 343.41, ALogP 3.41, HBA 7, HBD 2, PSA 83.25, QED 0.56
Compound (SMILES): Cc1cc(OCC2CCC(C(=O)O)C2)c(NC(=O)Nc2cnc(C#N)cn2)cc1Cl
InChIKey: XPPLYAKZGXYPOZ-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 429.86, ALogP 3.83, HBA 6, HBD 3, PSA 137.23, QED 0.63
Compound (SMILES): CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21
InChIKey: SHNZBTHVGXHLLD-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 363.41, ALogP 2.04, HBA 6, HBD 2, PSA 88.56, QED 0.85
Compound (SMILES): COc1cc(-c2csc3c(C=CC(=O)NCCN(C)C)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: UQNNJYLAPYGZBD-UHFFFAOYSA-N
Target: Leucine-rich repeat serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5S007
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LRRK2
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 568.7, ALogP 4.99, HBA 8, HBD 3, PSA 114.51, QED 0.22
Compound (SMILES): c1ccc2c(c1)Cc1c[nH]nc1-2
InChIKey: DGYDIEIMGSEYDK-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 = 79432.82 nM (pChEMBL 4.099999904632568)
Descriptors: MW 156.19, ALogP 1.98, HBA 1, HBD 1, PSA 28.68, QED 0.53
Compound (SMILES): Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12
InChIKey: NMHMCXTYPRADBA-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase alpha-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51812
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA3
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 252.32, ALogP 3.51, HBA 2, HBD 1, PSA 45.75, QED 0.67
Compound (SMILES): Cn1cc(-c2ccncn2)c(-c2ccc(F)cc2)n1
InChIKey: JZVUYHDTYQWBFB-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 254.27, ALogP 2.68, HBA 4, HBD 0, PSA 43.6, QED 0.71
Compound (SMILES): NCCOc1cncc(C=Cc2ccncc2)c1
InChIKey: ZMBDLCDLIZXFHY-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 241.29, ALogP 1.98, HBA 4, HBD 1, PSA 61.03, QED 0.87
Compound (SMILES): Cc1c(-c2ccc3[nH]nc(N)c3c2)nnn1Cc1ccccc1
InChIKey: UTFXYGYVDDLJER-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 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 304.36, ALogP 2.76, HBA 5, HBD 2, PSA 85.41, QED 0.61
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)O)c5)cnc(N)c34)cc2)c1
InChIKey: VKBFHTIUXUCYRQ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase FRK (SINGLE PROTEIN), Homo sapiens
UniProt: P42685
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FRK
Measurement: Ki = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 498.61, ALogP 5.74, HBA 7, HBD 4, PSA 118.09, QED 0.24
Compound (SMILES): N#CC1=C(N)n2c(sc(=Cc3ccco3)c2=O)=C(C(N)=O)C1c1ccco1
InChIKey: XIOOJUQFJYPVLA-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 380.39, ALogP 0.01, HBA 8, HBD 2, PSA 141.18, QED 0.66
Compound (SMILES): O=c1[nH][nH]c2cccc(-c3ccccc3)c12
InChIKey: ILQIGZWJHNZUGE-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 = 12589.25 nM (pChEMBL 4.900000095367432)
Descriptors: MW 210.24, ALogP 2.52, HBA 1, HBD 2, PSA 48.65, QED 0.64
Compound (SMILES): O=C1/C(=N\c2cccc(O)c2)C(N2CCCCC2)=C(O)c2ccccc21
InChIKey: OSBOEEGXPMPJJY-PYCFMQQDSA-N
Target: Tyrosyl-DNA phosphodiesterase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95551
Assay: PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response assay to identify inhibitors of human tyrosyl-DNA phosphodiesterase 2 (TDP2).   (Class of assay: confirmatory) 
Measurement: IC50 > 42772 nM (pChEMBL 4.36899995803833)
Descriptors: MW 348.4, ALogP 4.07, HBA 5, HBD 2, PSA 73.13, QED 0.86
Compound (SMILES): Cc1c(C=O)c(O)n2c(nc3ccccc32)c1C#N
InChIKey: UPITUWGOTMBQLX-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 251.25, ALogP 2.19, HBA 5, HBD 1, PSA 78.39, QED 0.67
Compound (SMILES): OCCNc1cc2cc(-c3ccccc3)ccc2cn1
InChIKey: PDZXQHANGFVRBL-UHFFFAOYSA-N
Target: SRSF protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96SB4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRPK1
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 264.33, ALogP 3.31, HBA 3, HBD 2, PSA 45.15, QED 0.76
Compound (SMILES): N#Cc1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1
InChIKey: BEJCLDKQCNVTQR-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P49336
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 419.45, ALogP 3.99, HBA 6, HBD 2, PSA 112.28, QED 0.45
Compound (SMILES): COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl
InChIKey: XCOXIWXNKPXIEK-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 381.82, ALogP 4.21, HBA 7, HBD 1, PSA 73.57, QED 0.56
Compound (SMILES): Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C(=O)O)C1
InChIKey: XNKYXYWPDUHBSC-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P49336
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK8
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 380.27, ALogP 4.4, HBA 3, HBD 1, PSA 49.77, QED 0.81