lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): COc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1CSc1ccccn1
InChIKey: YBDHFPHIXYMEFA-FSJBWODESA-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 = 7079.5 nM (pChEMBL 5.150000095367432)
Descriptors: MW 409.47, ALogP 3.56, HBA 7, HBD 3, PSA 104.04, QED 0.31
Compound (SMILES): CCCCCCCCCS(=O)(=O)N/N=C/c1cccc([N+](=O)[O-])c1
InChIKey: WEPPRKDCHDCPTB-SAPNQHFASA-N
Target: Inositol monophosphatase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97697
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ]
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 355.46, ALogP 3.6, HBA 5, HBD 1, PSA 101.67, QED 0.27
Compound (SMILES): O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc3ccccc3c2)[nH]n1
InChIKey: VXASWGPGDJKNIK-AFUMVMLFSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 2818.4 nM (pChEMBL 5.550000190734863)
Descriptors: MW 379.42, ALogP 4.48, HBA 3, HBD 3, PSA 85.93, QED 0.32
Compound (SMILES): Cc1cc(N/N=C/c2ccc(O)cc2O)nc(-n2nc(C)cc2C)n1
InChIKey: IBIWUMVGOCJHSB-GIJQJNRQSA-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 = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 338.37, ALogP 2.44, HBA 8, HBD 3, PSA 108.45, QED 0.5
Compound (SMILES): O=C(O)c1cc2nccc(-c3cccs3)n2n1
InChIKey: LRZOJAAEMGPNBK-UHFFFAOYSA-N
Target: DNA dC->dU-editing enzyme APOBEC-3G (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HC16
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3G DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay - Set 2. (Class of assay: confirmatory) 
Measurement: IC50 > 99000 nM (pChEMBL 4.004000186920166)
Descriptors: MW 245.26, ALogP 2.16, HBA 5, HBD 1, PSA 67.49, QED 0.75
Compound (SMILES): CCOC(=O)/C(C#N)=N\Nc1cc(Cl)ccc1OC
InChIKey: QNICQODAGRJJEL-YBEGLDIGSA-N
Target: Endoribonuclease toxin MazF (SINGLE PROTEIN), Escherichia coli K-12
UniProt: P0AE70
Assay: PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743]
Measurement: EC50 = 44100 nM (pChEMBL 4.360000133514404)
Descriptors: MW 281.7, ALogP 2.2, HBA 6, HBD 1, PSA 83.71, QED 0.51
Compound (SMILES): CCn1c(O)c(/C=N/N=C2CCCC2)c2ccc(C3=NNC(=O)CC3)cc21
InChIKey: JSSZNVSHNWUBSL-CIAFOILYSA-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 = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 365.44, ALogP 3.33, HBA 6, HBD 2, PSA 91.34, QED 0.64
Compound (SMILES): O=C(N/N=C/c1ccc(O)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1
InChIKey: FAZGSLOZBZHMPV-LSHDLFTRSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 405.24, ALogP 4.63, HBA 5, HBD 2, PSA 84.06, QED 0.46
Compound (SMILES): O=C(N/N=C/C1CC2CCC1C2)C1CC1c1ccccc1
InChIKey: MAYMNKZQJBDATR-YBFXNURJSA-N
Target: Nonstructural protein 1 (SINGLE PROTEIN), Influenza A virus
UniProt: Q194T2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 282.39, ALogP 3.33, HBA 2, HBD 1, PSA 41.46, QED 0.67
Compound (SMILES): N#Cc1c(O)[nH]c(=O)c2c(=N)oc3ccc(Cl)cc3c12
InChIKey: OKCNACDPDSQZSE-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 287.66, ALogP 1.98, HBA 5, HBD 3, PSA 113.87, QED 0.55
Compound (SMILES): C#CCn1/c(=N/C(=O)c2ccco2)sc2cccc(Cl)c21
InChIKey: KZTFHVJDPZEMLW-ICFOKQHNSA-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 = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 316.77, ALogP 3.32, HBA 4, HBD 0, PSA 47.5, QED 0.68
Compound (SMILES): S=C(N/N=C/c1ccccn1)Nc1ccc(Cl)cc1
InChIKey: GRYWNXFAJVPYFP-CXUHLZMHSA-N
Target: Metallo-beta-lactamase type 2 (SINGLE PROTEIN), Bacteria
UniProt: C7C422
Assay: Inhibition of bacterial NDM-1 (unknown origin) using imipenem as substrate by Agilent UV8453 Spectrometric analysis
Measurement: IC50 = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 290.78, ALogP 3.06, HBA 3, HBD 2, PSA 49.31, QED 0.52
Compound (SMILES): O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)NNC(=S)NC1CCCCC1
InChIKey: KEEJCPSNKPTIIZ-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Inhibition of CDC2 kinase (unknown origin) using histone H1 and [32P]-ATP
Measurement: IC50 = 70000 nM (pChEMBL 4.159999847412109)
Descriptors: MW 511.45, ALogP 4.33, HBA 5, HBD 3, PSA 83.87, QED 0.28
Compound (SMILES): NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: WDARYLSSWBWVCU-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 342.83, ALogP 3.36, HBA 5, HBD 3, PSA 92.51, QED 0.63
Compound (SMILES): CCOC(=O)Cn1/c(=N/C(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(S(N)(=O)=O)ccc21
InChIKey: LAXBHBKEMGSTHW-FVDSYPCUSA-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 = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 552.66, ALogP 3.93, HBA 9, HBD 1, PSA 133.71, QED 0.32
Compound (SMILES): N#Cc1ccccc1/C=N/Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIKey: LUNWNQNBJRCYJU-AFUMVMLFSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 383.84, ALogP 5.27, HBA 5, HBD 1, PSA 73.96, QED 0.38
Compound (SMILES): Fc1ccc(Nc2ncnc(Nc3ccc4[nH]ncc4c3)n2)cc1
InChIKey: NRGOEUKPNMBABW-UHFFFAOYSA-N
Target: Wee1-like protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P30291
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: WEE1
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 321.32, ALogP 3.37, HBA 6, HBD 3, PSA 91.41, QED 0.53
Compound (SMILES): CCOc1ccc(-c2nc(C(=O)N(C3CCCCC3)C3CCCCC3)co2)cc1OCC
InChIKey: ZKVGQZJGVLNTDE-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O95977
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose-response cell-based counterscreen assay to identify agonists of the Sphingosine 1-Phosphate Receptor 3 (S1P3): Sphingosine 1-Phosphate Receptor 4 (S1P4) agonist assay. (Class of assay: confirmatory) 
Measurement: EC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 440.58, ALogP 6.25, HBA 5, HBD 0, PSA 64.8, QED 0.49
Compound (SMILES): Cc1cc(=O)[nH]c(-n2[nH]c3c(c2=O)CCCC3)n1
InChIKey: ZIRMOHZKJYUEBC-UHFFFAOYSA-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 = 199.5 nM (pChEMBL 6.699999809265137)
Descriptors: MW 246.27, ALogP 0.44, HBA 4, HBD 2, PSA 83.54, QED 0.77
Compound (SMILES): O=S(=O)(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1
InChIKey: CQAPIRAUCPZAFR-HYARGMPZSA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without 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), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 400.89, ALogP 4.23, HBA 4, HBD 1, PSA 67.76, QED 0.48
Compound (SMILES): CC(C)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1
InChIKey: FWQKTZCKWQLAQJ-YBFXNURJSA-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 = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 300.79, ALogP 4.23, HBA 2, HBD 1, PSA 41.46, QED 0.67
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3F)cc2)c1
InChIKey: XZZUBMJMGJRIKY-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P36507
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP2K2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 378.45, ALogP 5.17, HBA 3, HBD 1, PSA 51.22, QED 0.62
Compound (SMILES): Cc1[nH]c2ccccc2c1/C=N/Nc1ccc([N+](=O)[O-])cc1
InChIKey: RBKVBYNUCKZGOJ-LICLKQGHSA-N
Target: Beta-lactamase (SINGLE PROTEIN), Escherichia coli K-12
UniProt: P00811
Assay: PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]
Measurement: Potency = 631 nM (pChEMBL 6.199999809265137)
Descriptors: MW 294.31, ALogP 3.83, HBA 4, HBD 2, PSA 83.32, QED 0.44
Compound (SMILES): O=C(N/N=C1/C(=O)c2cccc3cccc1c23)c1ccc(Cl)cc1
InChIKey: NFLMKMJDUCVJOE-HEHNFIMWSA-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 = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 334.76, ALogP 3.82, HBA 3, HBD 1, PSA 58.53, QED 0.72
Compound (SMILES): COc1ccccc1N/N=C(\C(C)=O)C(=S)Nc1ccccc1
InChIKey: GHKXGQLUNORSBI-CAPFRKAQSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 327.41, ALogP 3.49, HBA 5, HBD 2, PSA 62.72, QED 0.48
Compound (SMILES): COc1cc(/C=N/NC(=S)NCCc2ccccc2)cc(OC)c1OC
InChIKey: BDPUNHHPOHJBAE-FYJGNVAPSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 373.48, ALogP 2.75, HBA 5, HBD 2, PSA 64.11, QED 0.42
Compound (SMILES): Cc1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1
InChIKey: FNSOKQUJLPEXHD-XSFVSMFZSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 369.47, ALogP 3.2, HBA 8, HBD 1, PSA 82.68, QED 0.64
Compound (SMILES): COc1cccc(C(=O)/C=C/Nc2ccc(S(=O)(=O)Nc3cccc(C(C)=O)c3)cc2)c1
InChIKey: HCARGNZBFXLZHW-BUHFOSPRSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 450.52, ALogP 4.51, HBA 6, HBD 2, PSA 101.57, QED 0.37
Compound (SMILES): COC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2C1c1ccc(F)cc1
InChIKey: XCAAVVDPAFEZJK-XNTDXEJSSA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without 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), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 414.48, ALogP 2.61, HBA 7, HBD 0, PSA 60.66, QED 0.62
Compound (SMILES): Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1
InChIKey: OQNPAZRZCXFOBC-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 387.42, ALogP 4.97, HBA 4, HBD 3, PSA 92.93, QED 0.43
Compound (SMILES): COC(/C(=N/O)c1ccc(Cl)cc1)c1ccccc1
InChIKey: GWIGKMUIRGDAEF-SAPNQHFASA-N
Target: Nonstructural protein 1 (SINGLE PROTEIN), Influenza A virus
UniProt: Q194T2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 
Measurement: Potency = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 275.74, ALogP 3.91, HBA 3, HBD 1, PSA 41.82, QED 0.52
Compound (SMILES): O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2)nc2ccccc12
InChIKey: ZWCPEGBZUBYLFZ-HYARGMPZSA-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 = 7079.5 nM (pChEMBL 5.150000095367432)
Descriptors: MW 341.37, ALogP 4.26, HBA 4, HBD 1, PSA 67.49, QED 0.45
Compound (SMILES): O=[N+]([O-])c1ccc(N/N=C/c2c[nH]c3ccccc23)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIKey: XUKNYRZCLXJLPS-ZMOGYAJESA-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 = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 469.91, ALogP 4.98, HBA 6, HBD 3, PSA 129.49, QED 0.2
Compound (SMILES): O=C(O)c1cnc2sccn2c1=O
InChIKey: FDGPDTWORUVKQX-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 = 63095.73 nM (pChEMBL 4.199999809265137)
Descriptors: MW 196.19, ALogP 0.45, HBA 5, HBD 1, PSA 71.67, QED 0.72
Compound (SMILES): CCCCNc1n[s+]([O-])nc1Nc1ccc(F)cc1
InChIKey: ZDXCUVXIHVTLEU-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G3
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 282.34, ALogP 3.3, HBA 5, HBD 2, PSA 72.9, QED 0.63
Compound (SMILES): C=CCn1c(=O)[nH]c2nc3cc(/N=C/N(C)C)c(C)cc3nc2c1=O
InChIKey: XTHWNIFJCLSQMT-GIJQJNRQSA-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 = 11193.6 nM (pChEMBL 4.949999809265137)
Descriptors: MW 338.37, ALogP 1.35, HBA 6, HBD 1, PSA 96.24, QED 0.34
Compound (SMILES): CCOC(=O)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(C)=O)cc1
InChIKey: BZDUATOWXATDSF-LPYMAVHISA-N
Target: Prothrombin (SINGLE PROTEIN), Homo sapiens
UniProt: P00734
Assay: PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 1046 (Thrombin 1536 HTS; hits were confirmed in this assay)]
Measurement: IC50 = 526.44 nM (pChEMBL 6.28000020980835)
Descriptors: MW 378.38, ALogP 4.19, HBA 7, HBD 0, PSA 90.99, QED 0.47
Compound (SMILES): Cc1ccc(/C=N/n2c(S)nnc2-c2cccc(Cl)c2)o1
InChIKey: ZEMFQZVLHKAFSP-LZYBPNLTSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 318.79, ALogP 3.67, HBA 6, HBD 1, PSA 56.21, QED 0.59
Compound (SMILES): COc1cc(/C=N/Nc2cccc3cccnc23)cc(OC)c1O
InChIKey: TUZYUBDWZPMAMO-RGVLZGJSSA-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 = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 323.35, ALogP 3.4, HBA 6, HBD 2, PSA 75.97, QED 0.56
Compound (SMILES): CSc1ccc(Oc2cnn(Cc3cccc4ccccc34)c(=O)c2Cl)cc1
InChIKey: XVZVUZYYFGQYAI-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7): cell-based dose response assay to identify antagonists of the melanin-concentrating hormone receptor 1 (MCHR1) Set 5. (Class of assay: confirmatory) 
Measurement: IC50  9040 nM (pChEMBL 5.044000148773193)
Descriptors: MW 408.91, ALogP 5.61, HBA 5, HBD 0, PSA 44.12, QED 0.4
Compound (SMILES): Cc1cc(C)c2nc(C)cc(N/N=C/c3ccc(O)cc3)c2c1
InChIKey: MDMUKNRLKSHWEN-RGVLZGJSSA-N
Target: 4'-phosphopantetheinyl transferase ffp (SINGLE PROTEIN), Bacillus subtilis
UniProt: Q9F4F7
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 
Measurement: Potency = 89125.1 nM (pChEMBL 4.050000190734863)
Descriptors: MW 305.38, ALogP 4.31, HBA 4, HBD 2, PSA 57.51, QED 0.56
Compound (SMILES): Cc1ccccc1OCC(=O)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1
InChIKey: ZLZJYILHXUUOCG-YDZHTSKRSA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without 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), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 450.41, ALogP 4.13, HBA 8, HBD 1, PSA 146.2, QED 0.29
Compound (SMILES): C/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc[nH]1
InChIKey: OBQAXIYHLNHMPE-GSICKLFPSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 631 nM (pChEMBL 6.199999809265137)
Descriptors: MW 300.36, ALogP 3.1, HBA 4, HBD 1, PSA 45.44, QED 0.72
Compound (SMILES): Cc1cc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)c(C)o1
InChIKey: FVHPNKJVBKJTFS-LPYMAVHISA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 410.5, ALogP 3.62, HBA 7, HBD 1, PSA 79.96, QED 0.51
Compound (SMILES): Cc1[nH]c(=O)oc(=O)c1-c1ccccc1
InChIKey: BIYJECFCAQGGQH-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 = 79432.82 nM (pChEMBL 4.099999904632568)
Descriptors: MW 203.2, ALogP 1.3, HBA 3, HBD 1, PSA 63.07, QED 0.76
Compound (SMILES): O=C(COc1ccc(/C=N/NC(=O)c2ccncc2)cc1)Nc1ccc([N+](=O)[O-])cc1
InChIKey: ZPRGDIQWFWDIHN-YDZHTSKRSA-N
Target: Tyrosine-protein phosphatase non-receptor type 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06124
Assay: PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of Striatal-Enriched Phosphatase (STEP) in a SHP2 (PTPN11) Inhibition Assay. (Class of assay: confirmatory) 
Measurement: IC50 = 6080 nM (pChEMBL 5.21999979019165)
Descriptors: MW 419.4, ALogP 2.77, HBA 7, HBD 2, PSA 135.82, QED 0.33
Compound (SMILES): O=C1Nc2ccccc2Nc2nnccc21
InChIKey: WKWARMGSTJGPIX-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 212.21, ALogP 1.79, HBA 4, HBD 2, PSA 66.91, QED 0.7
Compound (SMILES): C[n+]1ccccc1C1CCCC/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].[I-]
InChIKey: MVRHULKMNZONJX-QTCZRQAZSA-M
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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 370.39, ALogP 3.45, HBA 6, HBD 1, PSA 114.55, QED 0.49
Compound (SMILES): CCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC
InChIKey: OVDRODOYHTZPRU-WJDWOHSUSA-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 = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 383.43, ALogP 2.76, HBA 8, HBD 0, PSA 78.86, QED 0.51
Compound (SMILES): O=C(N/N=C/c1ccccn1)c1cc(-c2cccc3ccccc23)[nH]n1
InChIKey: IVUWANDJULQUFZ-LPYMAVHISA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 341.37, ALogP 3.39, HBA 4, HBD 2, PSA 83.03, QED 0.44
Compound (SMILES): COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)o2)cc1
InChIKey: OLVOAEVHANZTPJ-ZMOGYAJESA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without 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), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 465.31, ALogP 4.67, HBA 6, HBD 1, PSA 81.65, QED 0.33
Compound (SMILES): CCOC(=O)c1c(Nc2ccc(Cl)cc2)sc(/C=C2\C=Nc3ccccc32)c1O
InChIKey: WNYYQQFHISVSTQ-ACCUITESSA-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 = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 424.91, ALogP 6.28, HBA 6, HBD 2, PSA 70.92, QED 0.47
Compound (SMILES): O=C(O)C(F)(F)F.c1cc(SC2CCCCC2)cc(-c2nc3cnccn3c2NC2CCCCC2)c1
InChIKey: WDMXOXVPACCYJD-UHFFFAOYSA-N
Target: Serine-protein kinase ATM (SINGLE PROTEIN), Homo sapiens
UniProt: Q13315
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) 
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 406.6, ALogP 6.57, HBA 5, HBD 1, PSA 42.22, QED 0.52
Compound (SMILES): CCN1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1
InChIKey: IZAHFLUMJUJAPM-UHFFFAOYSA-N
Target: Wee1-like protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P30291
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: WEE1
Measurement: Ki = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 482.51, ALogP 5, HBA 7, HBD 3, PSA 85, QED 0.36
Compound (SMILES): COc1ccc(Br)cc1/C=N/NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIKey: BPQIAABACRNFPU-KEBDBYFISA-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 = 4466.8 nM (pChEMBL 5.349999904632568)
Descriptors: MW 423.26, ALogP 3.25, HBA 6, HBD 1, PSA 78.38, QED 0.55
Compound (SMILES): Cc1c[nH]c2nccc(Oc3c(F)cc(Nc4cc(Cl)nc(N)n4)cc3F)c12
InChIKey: NRSGWEVTVGZDFC-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13131
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKAA1
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 402.79, ALogP 4.71, HBA 6, HBD 3, PSA 101.74, QED 0.43
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#Cc5cccnc5)cnc(N)c34)cc2)c1
InChIKey: QJIVDCJIPGAKQZ-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 475.58, ALogP 6.29, HBA 5, HBD 3, PSA 92.93, QED 0.27
Compound (SMILES): NC(=O)c1ccc(-c2ccnc(N)n2)cc1N1CCCCC1
InChIKey: WLVIONDQKHZQTJ-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 297.36, ALogP 1.81, HBA 5, HBD 2, PSA 98.13, QED 0.9
Compound (SMILES): O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccncc1
InChIKey: VUUFBVKBJGFAJS-NTUHNPAUSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 260.21, ALogP 1.35, HBA 6, HBD 1, PSA 110.63, QED 0.51
Compound (SMILES): CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccncc2)nc1
InChIKey: HVNNVTTVHCLYSU-CPNJWEJPSA-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 347.44, ALogP 2.34, HBA 6, HBD 1, PSA 87.55, QED 0.61
Compound (SMILES): Cc1cc(O)c(/C=N/c2ccc(N3CCOCC3)cc2)c(C)c1Cl
InChIKey: NZCADTRKHKBBBL-CIAFOILYSA-N
Target: Endoribonuclease toxin MazF (SINGLE PROTEIN), Escherichia coli K-12
UniProt: P0AE70
Assay: PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743]
Measurement: EC50 = 53500 nM (pChEMBL 4.269999980926514)
Descriptors: MW 344.84, ALogP 4.25, HBA 4, HBD 1, PSA 45.06, QED 0.85
Compound (SMILES): COc1ccc(/C=N/NC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)cc1
InChIKey: WOGNONUNKTWSHC-ODCIPOBUSA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without 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), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 409.39, ALogP 3.43, HBA 7, HBD 1, PSA 81.4, QED 0.52
Compound (SMILES): CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(C)n2)c(O)c1
InChIKey: MITQZSNDPWMDMX-WOJGMQOQSA-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 = 2511.9 nM (pChEMBL 5.599999904632568)
Descriptors: MW 313.41, ALogP 3.09, HBA 6, HBD 2, PSA 73.64, QED 0.63
Compound (SMILES): O=[N+]([O-])c1ccccc1/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIKey: SYJRGCSPJWFDHU-HZHRSRAPSA-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 = 281.8 nM (pChEMBL 6.550000190734863)
Descriptors: MW 396.41, ALogP 4.56, HBA 7, HBD 1, PSA 106.2, QED 0.29
Compound (SMILES): NS(=O)(=O)c1ccc(N/N=C/c2ccc(O)c(O)c2O)c([N+](=O)[O-])c1
InChIKey: SEGFKUBWJSDYPU-GIDUJCDVSA-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 = 2818.4 nM (pChEMBL 5.550000190734863)
Descriptors: MW 368.33, ALogP 0.8, HBA 9, HBD 5, PSA 188.38, QED 0.22
Compound (SMILES): Cc1cc2sc(C)[n+](CCCOS(=O)(=O)[O-])c2cc1C
InChIKey: IEMOWXZEHDESAP-UHFFFAOYSA-N
Target: 3-hydroxyacyl-CoA dehydrogenase type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99714
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) 
Measurement: Potency = 794.3 nM (pChEMBL 6.099999904632568)
Descriptors: MW 315.42, ALogP 1.98, HBA 5, HBD 0, PSA 70.31, QED 0.37
Compound (SMILES): O=C(N/N=C/c1ccc2ncccc2c1)c1ccco1
InChIKey: OXACACLWLYJYDT-LICLKQGHSA-N
Target: Pyruvate kinase PKM (SINGLE PROTEIN), Homo sapiens
UniProt: P14618
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) 
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 265.27, ALogP 2.59, HBA 4, HBD 1, PSA 67.49, QED 0.58
Compound (SMILES): CN1CCN(/N=C/c2nc(-c3cccc([N+](=O)[O-])c3)n3ccccc23)CC1
InChIKey: FINGJGIIYWMEBV-XSFVSMFZSA-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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 364.41, ALogP 2.49, HBA 7, HBD 0, PSA 79.28, QED 0.4
Compound (SMILES): O=C(Nc1cccc(N2CCOCC2)n1)Nc1ccnc2c(C(F)(F)F)cccc12
InChIKey: MJCKUHBSAUHVJE-UHFFFAOYSA-N
Target: NT-3 growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16288
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK3
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 417.39, ALogP 4.13, HBA 5, HBD 2, PSA 79.38, QED 0.67
Compound (SMILES): Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1
InChIKey: NSHLUNUGZXJUID-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 462.55, ALogP 4.99, HBA 5, HBD 3, PSA 107.02, QED 0.22
Compound (SMILES): CC/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(C)s1
InChIKey: KYWFYOHWOAADBI-LTGZKZEYSA-N
Target: Beta-lactamase (SINGLE PROTEIN), Escherichia coli K-12
UniProt: P00811
Assay: PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]
Measurement: Potency = 112201.8 nM (pChEMBL 3.950000047683716)
Descriptors: MW 337.45, ALogP 4.46, HBA 4, HBD 1, PSA 54.35, QED 0.56
Compound (SMILES): O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCC1
InChIKey: PUZZVOMIHNMZOZ-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P21453
Assay: Agonist activity at S1P1 receptor (unknown origin)
Measurement: EC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 302.42, ALogP 4.27, HBA 3, HBD 0, PSA 46.34, QED 0.83
Compound (SMILES): Clc1ccccc1-c1nc(N/N=C/c2cccnc2)c2ccccc2n1
InChIKey: UCFKGBBTFVHXEQ-YDZHTSKRSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 359.82, ALogP 4.79, HBA 5, HBD 1, PSA 63.06, QED 0.42
Compound (SMILES): O=C(NCc1ccccc1)c1cccc(-c2cnc3[nH]ccc3c2)c1
InChIKey: IZAVTOABECKIDH-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 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 327.39, ALogP 4.16, HBA 2, HBD 2, PSA 57.78, QED 0.59
Compound (SMILES): Oc1ccccc1/C=N/NC(=S)NC1CC2C=CC1C2
InChIKey: AAIIZTWLPBIJGA-CXUHLZMHSA-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 = 2818.4 nM (pChEMBL 5.550000190734863)
Descriptors: MW 287.39, ALogP 2.15, HBA 3, HBD 3, PSA 56.65, QED 0.35
Compound (SMILES): O=c1c2c([nH]c3cc(-c4ccco4)nn13)CSC2
InChIKey: GZLYXMXZXUBGPD-UHFFFAOYSA-N
Target: Lymphokine-activated killer T-cell-originated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96KB5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TOPK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 259.29, ALogP 2.03, HBA 5, HBD 1, PSA 63.3, QED 0.73
Compound (SMILES): Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccccc3)cc12
InChIKey: XSDJOIOVIMPMHD-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P78368
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G2
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 366.43, ALogP 4.12, HBA 5, HBD 2, PSA 85.41, QED 0.5
Compound (SMILES): N#CC(C#N)c1cnn(Cc2cccc3ccccc23)c(=O)c1Cl
InChIKey: BACODSFEYKJLEP-UHFFFAOYSA-N
Target: Neuropeptides B/W receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48145
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose response cell-based screening assay to identify antagonists of the G-protein coupled receptor 7 (GPR7) Set 6. (Class of assay: confirmatory) 
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 334.77, ALogP 3.23, HBA 5, HBD 0, PSA 82.47, QED 0.74
Compound (SMILES): CN1CCCC1COc1cncc(CCc2ccccc2)c1
InChIKey: YKDUCUOEQZDTMD-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 296.41, ALogP 3.34, HBA 3, HBD 0, PSA 25.36, QED 0.82
Compound (SMILES): Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c1ccc(F)cc1)O2
InChIKey: CVNXCGJIBSEPDP-CUAXAMRHSA-N
Target: Protein disulfide-isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P07237
Assay: PubChem BioAssay. Turbidimetric Biochemical Primary HTS to identify inhibitors of Protein Disulfide Isomerase Measured in Biochemical System Using Plate Reader - 2137-01_Inhibitor_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) 
Measurement: AC50  19500 nM (pChEMBL 4.710000038146973)
Descriptors: MW 638.74, ALogP 2.7, HBA 9, HBD 2, PSA 159.35, QED 0.36
Compound (SMILES): O=C(N/N=C(\c1ccccc1)c1ccccn1)c1ccccc1Cl
InChIKey: CZUSCKWTXPKQFZ-RELWKKBWSA-N
Target: Type-1 angiotensin II receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P30556
Assay: PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule antagonists hits of the APJ receptor. (Class of assay: confirmatory) [Related pubchem assays: 2569, 2521 ]
Measurement: IC50 = 10166 nM (pChEMBL 4.989999771118164)
Descriptors: MW 335.79, ALogP 3.92, HBA 3, HBD 1, PSA 54.35, QED 0.58
Compound (SMILES): COc1cc(OC)c2cc(C(=O)N/N=C/c3cccc(OC)c3O)[nH]c2c1
InChIKey: QJWYEFHYQOOGHV-KEBDBYFISA-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 = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 369.38, ALogP 2.66, HBA 6, HBD 3, PSA 105.17, QED 0.46
Compound (SMILES): CN1CCN(Cc2ccc3c(c2)-c2n[nH]c(=O)c4cccc(c24)O3)CC1
InChIKey: DZRLVSOGARUEGQ-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 348.41, ALogP 2.44, HBA 5, HBD 1, PSA 61.46, QED 0.6
Compound (SMILES): Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4ccc(OC(F)F)cc4)cc3)c12
InChIKey: VCFDMLBPASGZTP-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13131
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKAA1
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 536.56, ALogP 5.65, HBA 8, HBD 4, PSA 127.32, QED 0.2
Compound (SMILES): CCCS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(NC(=O)CC)c3c2)cc1
InChIKey: OEKYVFZKBRIDJO-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13131
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKAA1
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 386.48, ALogP 3.73, HBA 4, HBD 3, PSA 103.95, QED 0.58
Compound (SMILES): CCOc1cc(/C=N/N=C(\N)c2nonc2N)cc(Br)c1OCc1cccc2ccccc12
InChIKey: TVXDYAQKPKQXHU-KKMKTNMSSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 509.36, ALogP 4.28, HBA 8, HBD 2, PSA 134.14, QED 0.21
Compound (SMILES): O=C1/C(=N\c2ccc(O)cc2)C=C(O)c2ccccc21
InChIKey: IVACPRKQWLVKLQ-VKAVYKQESA-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 = 79432.8 nM (pChEMBL 4.099999904632568)
Descriptors: MW 265.27, ALogP 3.26, HBA 4, HBD 2, PSA 69.89, QED 0.83
Compound (SMILES): C#Cc1cc2c(cc1OC)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: WOTLXQZLXOXMFD-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 312.33, ALogP 2.9, HBA 4, HBD 1, PSA 74.59, QED 0.58
Compound (SMILES): NCCCOc1cncc(C=Cc2ccncc2)c1
InChIKey: KVYKDXMRLMPSGQ-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 255.32, ALogP 2.37, HBA 4, HBD 1, PSA 61.03, QED 0.8
Compound (SMILES): COc1ccc(Oc2c(Cl)cnn(CC(=O)C(C)(C)C)c2=O)cc1
InChIKey: GJAVXQSKOIGFOG-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7): cell-based dose response assay to identify antagonists of the melanin-concentrating hormone receptor 1 (MCHR1) Set 5. (Class of assay: confirmatory) 
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 350.8, ALogP 3.31, HBA 6, HBD 0, PSA 70.42, QED 0.83
Compound (SMILES): CCN(CC)CCCNc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)n1
InChIKey: HDIIEJQPCDNNML-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 = 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 366.47, ALogP 2.87, HBA 5, HBD 3, PSA 99.93, QED 0.51
Compound (SMILES): Cc1occc1C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2)CC1
InChIKey: UCPZMQIEAFHPAM-NXYUMHSSSA-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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 425.92, ALogP 4.42, HBA 5, HBD 1, PSA 67.07, QED 0.57
Compound (SMILES): NCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1
InChIKey: XNWKXXIGSPPPBH-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 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 287.75, ALogP 2.65, HBA 4, HBD 3, PSA 79.62, QED 0.64
Compound (SMILES): COCCCn1c(=O)/c(=C\c2ccccc2OC(F)F)s/c1=C(/C#N)C(N)=O
InChIKey: RGOAXPRUDQKHFG-STAOVSRYSA-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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 409.41, ALogP 0.54, HBA 7, HBD 1, PSA 107.34, QED 0.64
Compound (SMILES): N/C(=N\OC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccccc1
InChIKey: RFNPYTYDLXRMOB-UHFFFAOYSA-N
Target: Mitochondrial import inner membrane translocase subunit TIM10 (SINGLE PROTEIN), Saccharomyces cerevisiae S288c
UniProt: P87108
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a luminescent TIM10 yeast counterscreen. (Class of assay: confirmatory) 
Measurement: IC50 = 44470 nM (pChEMBL 4.349999904632568)
Descriptors: MW 401.49, ALogP 2.73, HBA 5, HBD 1, PSA 102.06, QED 0.36
Compound (SMILES): Cc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12
InChIKey: SRONQUHCRFZABC-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 = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 383.43, ALogP 4.98, HBA 4, HBD 1, PSA 59.39, QED 0.48
Compound (SMILES): Oc1cc(O)cc(C=Cc2ccc(O)c(O)c2)c1
InChIKey: CDRPUGZCRXZLFL-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 244.25, ALogP 2.68, HBA 4, HBD 4, PSA 80.92, QED 0.48
Compound (SMILES): O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)c1ccncc1
InChIKey: SENLYUVTTVTUSP-WYMPLXKRSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 503.15, ALogP 4.59, HBA 5, HBD 1, PSA 80.65, QED 0.24
Compound (SMILES): Cc1ccc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)cc1[N+](=O)[O-]
InChIKey: RLFLRGASSZBQCT-UDWIEESQSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 380.43, ALogP 4.48, HBA 5, HBD 2, PSA 92.7, QED 0.29
Compound (SMILES): COc1c(-c2nc3ccccc3[nH]2)c(O)cc2oc(C)cc(=O)c12
InChIKey: QVNZKVACBBTKSL-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 322.32, ALogP 3.36, HBA 5, HBD 2, PSA 88.35, QED 0.59