lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC(C)C(CO)NC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: LHLBQSAMDHYBJT-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK14
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 513.64, ALogP 5.71, HBA 5, HBD 4, PSA 108.28, QED 0.25
Compound (SMILES): O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1
InChIKey: MVIVBJWGKGBVNA-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 465.45, ALogP 4.44, HBA 5, HBD 2, PSA 94.91, QED 0.31
Compound (SMILES): CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1
InChIKey: NPJROAJIXPVMTE-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 428.5, ALogP 2.39, HBA 8, HBD 2, PSA 104.68, QED 0.5
Compound (SMILES): CCN(CC)c1ccc(/C=N/NC(=O)c2ccco2)cc1
InChIKey: NUFJVJRIKWMAHU-SFQUDFHCSA-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 = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 285.35, ALogP 2.89, HBA 4, HBD 1, PSA 57.84, QED 0.66
Compound (SMILES): CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1
InChIKey: RRAMBEGOYIJQHY-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 264.31, ALogP 1.93, HBA 5, HBD 3, PSA 82.41, QED 0.73
Compound (SMILES): C(=N/NC1=Nc2cccc3cccc1c23)\c1ccccc1
InChIKey: BHVRGHUCIOBZDB-XDHOZWIPSA-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 = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 271.32, ALogP 3.86, HBA 3, HBD 1, PSA 36.75, QED 0.56
Compound (SMILES): Cc1cccc(-c2c(-c3ccncc3)nc(NCC(N)Cc3ccccc3)n(C)c2=O)c1
InChIKey: PEEMSUJXJVLHFP-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13188
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 425.54, ALogP 3.8, HBA 6, HBD 2, PSA 85.83, QED 0.47
Compound (SMILES): Nc1n[nH]c2cccc(-c3ccc(F)cc3)c12
InChIKey: QFHRPRDSAHFZEG-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 = 63095.73 nM (pChEMBL 4.199999809265137)
Descriptors: MW 227.24, ALogP 2.95, HBA 2, HBD 2, PSA 54.7, QED 0.67
Compound (SMILES): O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1
InChIKey: UCQQKNCOQDDLSQ-JVWAILMASA-N
Target: Ferritin light chain (SINGLE PROTEIN), Equus caballus
UniProt: P02791
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 405.46, ALogP 4.99, HBA 3, HBD 3, PSA 85.93, QED 0.28
Compound (SMILES): NC(=O)c1cc2ccncc2s1
InChIKey: MVAMOERRWMZNPJ-UHFFFAOYSA-N
Target: G protein-coupled receptor kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P34947
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GPRK5
Measurement: Ki = 15848.93 nM (pChEMBL 4.800000190734863)
Descriptors: MW 178.22, ALogP 1.4, HBA 3, HBD 1, PSA 55.98, QED 0.72
Compound (SMILES): COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: SPYHMOFSJGTUNP-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 364.38, ALogP 3.05, HBA 7, HBD 1, PSA 77.23, QED 0.53
Compound (SMILES): CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1
InChIKey: JPCWMTOYDYYXLS-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 > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 630.78, ALogP 6.35, HBA 10, HBD 2, PSA 99.92, QED 0.19
Compound (SMILES): O=C1NN=Cc2c[nH]c3cc(NC(=O)C4CC4c4ccccc4)cc1c23
InChIKey: ZKHDDJKHTPLPOQ-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 = 158.49 nM (pChEMBL 6.800000190734863)
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: 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 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: cAMP-dependent protein kinase catalytic subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P17612
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 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: 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 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: 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 = 1995.26 nM (pChEMBL 5.699999809265137)
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: 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 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 334.81, ALogP 4.89, HBA 3, HBD 2, PSA 53.6, QED 0.52
Compound (SMILES): Cc1ccccc1/C=N/Nc1ccnc2cc(Cl)ccc12
InChIKey: NQAPTYPJVMULPE-RGVLZGJSSA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))]
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 295.77, ALogP 4.64, HBA 3, HBD 1, PSA 37.28, QED 0.56
Compound (SMILES): O=[N+]([O-])c1cc(Br)c(O)c(/C=N/Nc2nc3ccccc3s2)c1
InChIKey: OLUGZYSLQLOETM-FRKPEAEDSA-N
Target: Induced myeloid leukemia cell differentiation protein Mcl-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07820
Assay: PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1022 (Primary screen preceding this dose-response assay.)]
Measurement: IC50 > 54000 nM (pChEMBL 4.26800012588501)
Descriptors: MW 393.22, ALogP 4.12, HBA 7, HBD 2, PSA 100.65, QED 0.39
Compound (SMILES): N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIKey: BLTVBQXJFVRPFK-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TYRO3
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 334.38, ALogP 2.64, HBA 5, HBD 2, PSA 85.17, QED 0.77
Compound (SMILES): Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(SCC(=O)O)C(=O)c3ccccc32)cc1C
InChIKey: WJQLAUVNAMWXSJ-XLNRJJMWSA-N
Target: RecQ-like DNA helicase BLM (SINGLE PROTEIN), Homo sapiens
UniProt: P54132
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom&apos;s syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom&apos;s syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom&apos;s syndrome helicase (BLM))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 429.52, ALogP 3.69, HBA 5, HBD 1, PSA 100.87, QED 0.78
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1
InChIKey: ICDHVAJOGIGIOI-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Blk (SINGLE PROTEIN), Homo sapiens
UniProt: P51451
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BLK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 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: 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 = 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: 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 > 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: 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 303.37, ALogP 0.62, HBA 5, HBD 2, PSA 85.35, QED 0.87
Compound (SMILES): O=C(Nc1ccc(-c2ccc3cn[nH]c3c2)cc1)Nc1cccc(F)c1
InChIKey: FYRQDEVTRMEZHR-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 346.37, ALogP 5.01, HBA 2, HBD 3, PSA 69.81, QED 0.49
Compound (SMILES): O=C(N/N=C/c1c(O)ccc2ccccc12)c1[nH]ncc1Br
InChIKey: XTTLUNFROHAZTJ-REZTVBANSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 359.18, ALogP 2.79, HBA 4, HBD 3, PSA 90.37, QED 0.5
Compound (SMILES): CN(c1ccccc1CNc1nc(N)nc2[nH]ccc12)S(C)(=O)=O
InChIKey: YMPQGMJCDSFOMH-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 346.42, ALogP 1.55, HBA 6, HBD 3, PSA 117, QED 0.65
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 CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK2
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
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: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ALK
Measurement: Ki = 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): CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIKey: HEUSUIRCBWROMH-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 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: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK2
Measurement: Ki > 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: 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 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: 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 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: 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 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 346.43, ALogP 4.56, HBA 3, HBD 1, PSA 51.22, QED 0.74
Compound (SMILES): CN(C)c1ccc(/C=N/c2ccc(N(C)C)cc2)cc1
InChIKey: KAUNTOUDFKIOEK-QGOAFFKASA-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 267.38, ALogP 3.57, HBA 3, HBD 0, PSA 18.84, QED 0.79
Compound (SMILES): Cc1cccc2cc3c(nc12)S/C(=N/CC1CCCO1)N(Cc1ccco1)C3
InChIKey: NWBNUVKWUXHDII-GHVJWSGMSA-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 = 2818.4 nM (pChEMBL 5.550000190734863)
Descriptors: MW 393.51, ALogP 4.78, HBA 5, HBD 0, PSA 50.86, QED 0.64
Compound (SMILES): CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: NOBMKUVHFRVBES-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit PRKX (SINGLE PROTEIN), Homo sapiens
UniProt: P51817
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKX
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 526.69, ALogP 6.04, HBA 5, HBD 3, PSA 91.29, QED 0.25
Compound (SMILES): NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12
InChIKey: CWBWMDSAVFJNAD-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 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: 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 = 63.1 nM (pChEMBL 7.199999809265137)
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: 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 > 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): CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12
InChIKey: SIHZREZFYCEMBL-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 471.29, ALogP 5.58, HBA 4, HBD 1, PSA 51.46, QED 0.31
Compound (SMILES): NC(=O)C1CCCN(C(=O)c2cc(-c3ccc4[nH]ncc4c3)on2)C1
InChIKey: NYZBKPORWJDPBX-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 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-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM2
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): CN1CCc2c(sc(/N=C/c3cccs3)c2C(N)=O)C1
InChIKey: GBBISPGLYCOVSQ-FRKPEAEDSA-N
Target: Lysosomal alpha-glucosidase (SINGLE PROTEIN), Homo sapiens
UniProt: P10253
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 305.43, ALogP 2.65, HBA 5, HBD 1, PSA 58.69, QED 0.89
Compound (SMILES): O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1
InChIKey: NPLQZQGAZAUUTB-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 = 50.12 nM (pChEMBL 7.300000190734863)
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-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 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: 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 323.38, ALogP 2.57, HBA 6, HBD 1, PSA 75.94, QED 0.58
Compound (SMILES): O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1NS(=O)(=O)c1cccs1
InChIKey: XCUZAOJYLVPYGX-KEBDBYFISA-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 = 67200 nM (pChEMBL 4.170000076293945)
Descriptors: MW 480.91, ALogP 3.58, HBA 8, HBD 3, PSA 151, QED 0.27
Compound (SMILES): Cc1cc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c2ccccc2n1
InChIKey: WWJRZWVCHVXSED-AWQFTUOYSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 7079.5 nM (pChEMBL 5.150000095367432)
Descriptors: MW 384.78, ALogP 3.57, HBA 6, HBD 2, PSA 117.72, QED 0.4
Compound (SMILES): Cc1ccc2c(c1)C(=O)Nc1ccccc1N2
InChIKey: XHFZDCLANHHVOK-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 = 79432.82 nM (pChEMBL 4.099999904632568)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: ZMNWFTYYYCSSTF-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 = 158.49 nM (pChEMBL 6.800000190734863)
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 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13188
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK3
Measurement: Ki = 50.12 nM (pChEMBL 7.300000190734863)
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: 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 310.36, ALogP 3.37, HBA 5, HBD 1, PSA 76.88, QED 0.8
Compound (SMILES): CCOc1cc(/C=N/NC2=NC(=O)C(CC(=O)O)S2)ccc1OCc1ccc(Cl)cc1Cl
InChIKey: KTHJULAPAWMBGF-YSURURNPSA-N
Target: Tyrosine-protein phosphatase non-receptor type 22 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2R2
Assay: PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in a fluorescence-based, Lymphoid Phosphatase (PTPN22, LYP-1) selectivity Assay. (Class of assay: confirmatory) 
Measurement: IC50  22900 nM (pChEMBL 4.639999866485596)
Descriptors: MW 496.37, ALogP 4.37, HBA 7, HBD 2, PSA 109.58, QED 0.39
Compound (SMILES): NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1
InChIKey: PJUVRETYCLPAFV-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 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: 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 = 1000 nM (pChEMBL 6)
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: 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 590.5, ALogP 3.31, HBA 9, HBD 3, PSA 128.79, QED 0.36
Compound (SMILES): O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1
InChIKey: MMSSKRQVKABMNA-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 > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 365.35, ALogP 3.8, HBA 3, HBD 1, PSA 49.77, QED 0.85
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)cc2)c1
InChIKey: XNLJDUXNZQBRSE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13188
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK3
Measurement: Ki > 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 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 438.44, ALogP 3.96, HBA 7, HBD 2, PSA 105.3, QED 0.47
Compound (SMILES): Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2n1C
InChIKey: UNMJCNZWCWDKOU-CIAFOILYSA-N
Target: Lysosomal alpha-glucosidase (SINGLE PROTEIN), Homo sapiens
UniProt: P10253
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 364.84, ALogP 4.17, HBA 6, HBD 1, PSA 60.03, QED 0.44
Compound (SMILES): CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O
InChIKey: HSMUWLLZAZCLHF-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 407.93, ALogP 3.27, HBA 5, HBD 3, PSA 99.77, QED 0.52
Compound (SMILES): O=C(/C=C/c1cccnc1)/C=C/c1cccnc1
InChIKey: UWILVEPRHIRCJK-KQQUZDAGSA-N
Target: Nuclear factor NF-kappa-B p105 subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P19838
Assay: Cellular Firefly Luciferase Assay (NFkB): The NF-kB activities of curcumin and analogs were determined by a cellular firefly luciferase assay. This assay utilized a commercially available cell line (Panomics 293T-luc cellular assay) developed for screening inhibitors of NF-kB. This cell line is stably transfected with a luciferase reporter controlled by an NF-kB dependent promoter. The cell is stimulated with tumor necrosis factor alpha (TNFalpha) which activates NF-kB. NF-kB then binds to one of six promoter regions on the cell's DNA leading to the production of a luciferase enzyme. Luciferin is added to the cell lysates and the luciferase enzyme catalyzes a cleavage of luciferin leading to the emission of light.
Measurement: IC50 = 3400 nM (pChEMBL 5.46999979019165)
Descriptors: MW 236.27, ALogP 2.77, HBA 3, HBD 0, PSA 42.85, QED 0.77
Compound (SMILES): Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1
InChIKey: MGNQNQOSSLCUFP-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 378.41, ALogP 3.35, HBA 7, HBD 2, PSA 80.28, QED 0.57
Compound (SMILES): CC(C)C(CO)NC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: LHLBQSAMDHYBJT-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK14
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 513.64, ALogP 5.71, HBA 5, HBD 4, PSA 108.28, QED 0.25
Compound (SMILES): O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1
InChIKey: MVIVBJWGKGBVNA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P50750
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 465.45, ALogP 4.44, HBA 5, HBD 2, PSA 94.91, QED 0.31
Compound (SMILES): CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1
InChIKey: NPJROAJIXPVMTE-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 428.5, ALogP 2.39, HBA 8, HBD 2, PSA 104.68, QED 0.5
Compound (SMILES): CCN(CC)c1ccc(/C=N/NC(=O)c2ccco2)cc1
InChIKey: NUFJVJRIKWMAHU-SFQUDFHCSA-N
Target: G2/mitotic-specific cyclin-B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P14635
Assay: PUBCHEM_BIOASSAY: Counterscreen assay for inhibitors of Wee1 degradation: dose response cell-based assay to identify inhibitors of cyclin B degradation. (Class of assay: confirmatory) [Related pubchem assays: 1410, 1321 ]
Measurement: EC50 > 49750 nM (pChEMBL 4.302999973297119)
Descriptors: MW 285.35, ALogP 2.89, HBA 4, HBD 1, PSA 57.84, QED 0.66
Compound (SMILES): CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1
InChIKey: RRAMBEGOYIJQHY-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 264.31, ALogP 1.93, HBA 5, HBD 3, PSA 82.41, QED 0.73
Compound (SMILES): C(=N/NC1=Nc2cccc3cccc1c23)\c1ccccc1
InChIKey: BHVRGHUCIOBZDB-XDHOZWIPSA-N
Target: Tyrosyl-DNA phosphodiesterase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NUW8
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) 
Measurement: Potency = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 271.32, ALogP 3.86, HBA 3, HBD 1, PSA 36.75, QED 0.56
Compound (SMILES): Cc1cccc(-c2c(-c3ccncc3)nc(NCC(N)Cc3ccccc3)n(C)c2=O)c1
InChIKey: PEEMSUJXJVLHFP-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK2
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 425.54, ALogP 3.8, HBA 6, HBD 2, PSA 85.83, QED 0.47
Compound (SMILES): Nc1n[nH]c2cccc(-c3ccc(F)cc3)c12
InChIKey: QFHRPRDSAHFZEG-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 = 50118.72 nM (pChEMBL 4.300000190734863)
Descriptors: MW 227.24, ALogP 2.95, HBA 2, HBD 2, PSA 54.7, QED 0.67
Compound (SMILES): O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1
InChIKey: UCQQKNCOQDDLSQ-JVWAILMASA-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 405.46, ALogP 4.99, HBA 3, HBD 3, PSA 85.93, QED 0.28
Compound (SMILES): NC(=O)c1cc2ccncc2s1
InChIKey: MVAMOERRWMZNPJ-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 = 63095.73 nM (pChEMBL 4.199999809265137)
Descriptors: MW 178.22, ALogP 1.4, HBA 3, HBD 1, PSA 55.98, QED 0.72
Compound (SMILES): COCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: SPYHMOFSJGTUNP-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 364.38, ALogP 3.05, HBA 7, HBD 1, PSA 77.23, QED 0.53
Compound (SMILES): CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)Cc1ccccc1
InChIKey: JPCWMTOYDYYXLS-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 > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 630.78, ALogP 6.35, HBA 10, HBD 2, PSA 99.92, QED 0.19
Compound (SMILES): O=C1NN=Cc2c[nH]c3cc(NC(=O)C4CC4c4ccccc4)cc1c23
InChIKey: ZKHDDJKHTPLPOQ-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 = 31.62 nM (pChEMBL 7.5)
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: 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 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: Interleukin-1 receptor-associated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWZ3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK4
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 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: 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 = 3981.07 nM (pChEMBL 5.400000095367432)
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 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13188
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
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: 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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 334.81, ALogP 4.89, HBA 3, HBD 2, PSA 53.6, QED 0.52
Compound (SMILES): Cc1ccccc1/C=N/Nc1ccnc2cc(Cl)ccc12
InChIKey: NQAPTYPJVMULPE-RGVLZGJSSA-N
Target: Neuropeptide S receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q6W5P4
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) 
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 295.77, ALogP 4.64, HBA 3, HBD 1, PSA 37.28, QED 0.56
Compound (SMILES): O=[N+]([O-])c1cc(Br)c(O)c(/C=N/Nc2nc3ccccc3s2)c1
InChIKey: OLUGZYSLQLOETM-FRKPEAEDSA-N
Target: Pyruvate kinase PKM (SINGLE PROTEIN), Homo sapiens
UniProt: P14618
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ]
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 393.22, ALogP 4.12, HBA 7, HBD 2, PSA 100.65, QED 0.39
Compound (SMILES): N#Cc1ccc2[nH]c(O)c(-c3ccc(CN4CCOCC4)cn3)c2c1
InChIKey: BLTVBQXJFVRPFK-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 > 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): Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(SCC(=O)O)C(=O)c3ccccc32)cc1C
InChIKey: WJQLAUVNAMWXSJ-XLNRJJMWSA-N
Target: Fructose-bisphosphate aldolase (SINGLE PROTEIN), Giardia intestinalis
UniProt: A8B2U2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]
Measurement: Potency = 15811.4 nM (pChEMBL 4.800000190734863)
Descriptors: MW 429.52, ALogP 3.69, HBA 5, HBD 1, PSA 100.87, QED 0.78
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(Cl)nccn23)n1
InChIKey: ICDHVAJOGIGIOI-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12851
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K2
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
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: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 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: 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 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: 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 303.37, ALogP 0.62, HBA 5, HBD 2, PSA 85.35, QED 0.87
Compound (SMILES): O=C(Nc1ccc(-c2ccc3cn[nH]c3c2)cc1)Nc1cccc(F)c1
InChIKey: FYRQDEVTRMEZHR-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 346.37, ALogP 5.01, HBA 2, HBD 3, PSA 69.81, QED 0.49
Compound (SMILES): O=C(N/N=C/c1c(O)ccc2ccccc12)c1[nH]ncc1Br
InChIKey: XTTLUNFROHAZTJ-REZTVBANSA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 359.18, ALogP 2.79, HBA 4, HBD 3, PSA 90.37, QED 0.5
Compound (SMILES): CN(c1ccccc1CNc1nc(N)nc2[nH]ccc12)S(C)(=O)=O
InChIKey: YMPQGMJCDSFOMH-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 346.42, ALogP 1.55, HBA 6, HBD 3, PSA 117, QED 0.65
Compound (SMILES): Cc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12
InChIKey: AGYRJOAGMDIFKL-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 = 630.96 nM (pChEMBL 6.199999809265137)
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: Inhibitor of nuclear factor kappa-B kinase subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: O14920
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKB
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 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: 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 = 199.53 nM (pChEMBL 6.699999809265137)
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 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 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: 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 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 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 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: 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 346.43, ALogP 4.56, HBA 3, HBD 1, PSA 51.22, QED 0.74
Compound (SMILES): CN(C)c1ccc(/C=N/c2ccc(N(C)C)cc2)cc1
InChIKey: KAUNTOUDFKIOEK-QGOAFFKASA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 2238.7 nM (pChEMBL 5.650000095367432)
Descriptors: MW 267.38, ALogP 3.57, HBA 3, HBD 0, PSA 18.84, QED 0.79
Compound (SMILES): Cc1cccc2cc3c(nc12)S/C(=N/CC1CCCO1)N(Cc1ccco1)C3
InChIKey: NWBNUVKWUXHDII-GHVJWSGMSA-N
Target: Pyruvate kinase PKM (SINGLE PROTEIN), Homo sapiens
UniProt: P14618
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ]
Measurement: Potency = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 393.51, ALogP 4.78, HBA 5, HBD 0, PSA 50.86, QED 0.64
Compound (SMILES): CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: NOBMKUVHFRVBES-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 = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 526.69, ALogP 6.04, HBA 5, HBD 3, PSA 91.29, QED 0.25
Compound (SMILES): NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12
InChIKey: CWBWMDSAVFJNAD-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 263.3, ALogP 2.58, HBA 3, HBD 2, PSA 82, QED 0.7