lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(/C=C/c1ccccc1)Nc1ccccc1Cl
InChIKey: FKLXMLNUDVRAJG-ZHACJKMWSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: Inhibition of autophosphorylation of His6-tagged EGFR cytoplasmic domain (unknown origin) expressed in Sf9 cells by DELFIA time resolved fluorometry
Measurement: IC50 = 9860 nM (pChEMBL 5.010000228881836)
Descriptors: MW 257.72, ALogP 3.99, HBA 1, HBD 1, PSA 29.1, QED 0.83
Compound (SMILES): CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)c3ccc(=O)n(C)c3)=C2N2CCOCC2)cc1
InChIKey: KMLXHMAYCCRLRY-UKCKPQGZSA-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 = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 489.62, ALogP 3.41, HBA 7, HBD 1, PSA 79.17, QED 0.45
Compound (SMILES): COc1ccc2c(c1)-c1nc(/N=C/c3ccc(O)c(OC)c3)sc1CC2
InChIKey: UJQZNKYKJTWKJX-SRZZPIQSSA-N
Target: Mannose-6-phosphate isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P34949
Assay: PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate. (Class of assay: confirmatory) [Related pubchem assays: 1209 ]
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 366.44, ALogP 4.38, HBA 6, HBD 1, PSA 63.94, QED 0.7
Compound (SMILES): Cc1cccc(/C=C2/SC(N/N=C3\CC4CCC3(C)C4(C)C)=NC2=O)c1
InChIKey: KIKZTEFIKRIYPY-XGJDHLGVSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 367.52, ALogP 4.76, HBA 4, HBD 1, PSA 53.82, QED 0.61
Compound (SMILES): O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1/N=C/c1ccc(O)cc1O
InChIKey: LAJWXUJCIIQPFK-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 = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 377.31, ALogP 2.79, HBA 7, HBD 2, PSA 133.34, QED 0.31
Compound (SMILES): CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1
InChIKey: VWASGXKHHQTKLJ-AFUMVMLFSA-N
Target: Prothrombin (SINGLE PROTEIN), Bos taurus
UniProt: P00735
Assay: PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay. (Class of assay: confirmatory) 
Measurement: IC50 = 43600 nM (pChEMBL 4.360000133514404)
Descriptors: MW 425.87, ALogP 4.62, HBA 5, HBD 2, PSA 92.93, QED 0.43
Compound (SMILES): O=C(N/N=C/C1CC=CCC1)c1ccccc1O
InChIKey: KBPHACZLQCYTHO-XNTDXEJSSA-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 244.29, ALogP 2.46, HBA 3, HBD 2, PSA 61.69, QED 0.49
Compound (SMILES): N#C/C(N=Nc1ccccc1O)=N/Nc1ccccc1O
InChIKey: AOBOENGQFGWLIJ-BHXCPLFDSA-N
Target: Lethal(3)malignant brain tumor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y468
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 281.28, ALogP 3.13, HBA 6, HBD 3, PSA 113.36, QED 0.26
Compound (SMILES): COc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)cn1
InChIKey: WJKDRUWMJFBDFI-UHFFFAOYSA-N
Target: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WQ81
Assay: PubChem BioAssay. Mycobacterium tuberculosis BioA enzyme inhibitor Measured in Biochemical System Using Plate Reader - 2163-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) 
Measurement: AC50  11170 nM (pChEMBL 4.952000141143799)
Descriptors: MW 415.45, ALogP 3.34, HBA 6, HBD 1, PSA 88.83, QED 0.49
Compound (SMILES): O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2
InChIKey: JBZDQRYAZUFBTL-GIJQJNRQSA-N
Target: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZU7
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120]
Measurement: IC50 = 4439 nM (pChEMBL 5.349999904632568)
Descriptors: MW 361.74, ALogP 2.78, HBA 6, HBD 1, PSA 103.06, QED 0.51
Compound (SMILES): CCS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)(C(=O)O)O2
InChIKey: MSIDDOCGWSBVLJ-UHFFFAOYSA-N
Target: Apoptotic protease-activating factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14727
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule Activators of Apaf-1 in a Fluorescent assay. (Class of assay: confirmatory) 
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 299.3, ALogP 0.65, HBA 5, HBD 2, PSA 109.77, QED 0.79
Compound (SMILES): CCOc1ccc(Oc2c(Cl)c(C)nn(Cc3cccc4ccccc34)c2=O)cc1
InChIKey: HXKCVXVETKHWKF-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 5. (Class of assay: confirmatory) 
Measurement: IC50  1880 nM (pChEMBL 5.72599983215332)
Descriptors: MW 420.9, ALogP 5.6, HBA 5, HBD 0, PSA 53.35, QED 0.41
Compound (SMILES): CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)/c1=N\C(=O)c1cccnc1
InChIKey: GYPYMLWOKJUWOX-SLMZUGIISA-N
Target: Cytochrome P450 2C9 (SINGLE PROTEIN), Homo sapiens
UniProt: P11712
Assay: PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active
Measurement: AC50 = 28183.83 nM (pChEMBL 4.550000190734863)
Descriptors: MW 475.51, ALogP 2.31, HBA 9, HBD 0, PSA 117.15, QED 0.23
Compound (SMILES): COc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1
InChIKey: BBNHNJBZQOESPZ-LPYMAVHISA-N
Target: Thioredoxin glutathione reductase (SINGLE PROTEIN), Schistosoma mansoni
UniProt: Q962Y6
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]
Measurement: Potency = 2818.4 nM (pChEMBL 5.550000190734863)
Descriptors: MW 344.37, ALogP 4.36, HBA 4, HBD 1, PSA 63.83, QED 0.44
Compound (SMILES): O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(O)c(O)c1
InChIKey: HMUDYJJCLSVFJC-CAOOACKPSA-N
Target: Alkaline phosphatase, germ cell type (SINGLE PROTEIN), Homo sapiens
UniProt: P10696
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intestinal Alkaline Phosphatase using Placental Alkaline Phosphatase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2805, AID2817]
Measurement: EC50 = 67500 nM (pChEMBL 4.170000076293945)
Descriptors: MW 343.36, ALogP 2.48, HBA 7, HBD 3, PSA 107.95, QED 0.28
Compound (SMILES): C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H]([C@H](C)O)n3cc(C)nn3)CC2)n1
InChIKey: AGJRXCFJPQXZKA-HUIFRNELSA-N
Target: Ubiquitin-conjugating enzyme E2 N (SINGLE PROTEIN), Homo sapiens
UniProt: P61088
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of UBC13 Polyubiquitin Inhibitors via a TR-FRET Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493182]
Measurement: IC50 = 11060 nM (pChEMBL 4.960000038146973)
Descriptors: MW 1162.54
Compound (SMILES): C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccc(Cl)cc1
InChIKey: QJCQCRIVJYNPAB-LPYMAVHISA-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 = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 372.86, ALogP 3.54, HBA 4, HBD 2, PSA 73.8, QED 0.6
Compound (SMILES): OCCC(Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1
InChIKey: HOBMVEVXDIOMDM-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 361.47, ALogP 4.89, HBA 5, HBD 2, PSA 58.04, QED 0.51
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc2c(c1)CCc1sc3ncnc(N)c3c1-2
InChIKey: DCTBPIBEQFLAOQ-UHFFFAOYSA-N
Target: Protein kinase C zeta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCZ
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 401.5, ALogP 4.99, HBA 5, HBD 3, PSA 92.93, QED 0.44
Compound (SMILES): Clc1ccccc1/C=C/c1ccnc2ccccc12
InChIKey: DVQQCTSFLJNTCY-MDZDMXLPSA-N
Target: Protein skinhead-1 (SINGLE PROTEIN), Caenorhabditis elegans
UniProt: P34707
Assay: PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) 
Measurement: IC50 = 67200 nM (pChEMBL 4.170000076293945)
Descriptors: MW 265.74, ALogP 5.06, HBA 1, HBD 0, PSA 12.89, QED 0.63
Compound (SMILES): Cc1occc1C(=O)N/N=C/C=C/c1ccc(N(C)C)cc1
InChIKey: FBUNRXOKEMUEOJ-MFVXBXEFSA-N
Target: Histone-lysine N-methyltransferase 2A (SINGLE PROTEIN), Homo sapiens
UniProt: Q03164
Assay: PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 297.36, ALogP 3.08, HBA 4, HBD 1, PSA 57.84, QED 0.68
Compound (SMILES): COc1ccc(OC)c(NC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1
InChIKey: PDDNOJLLBVAHLR-UHFFFAOYSA-N
Target: Protein kinase C zeta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCZ
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 374.4, ALogP 3.67, HBA 6, HBD 1, PSA 77.75, QED 0.58
Compound (SMILES): Cc1nn(C)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-]
InChIKey: LIXKXUMXQCSEKK-CNHKJKLMSA-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 = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 355.28, ALogP 2.42, HBA 6, HBD 1, PSA 102.42, QED 0.52
Compound (SMILES): CC(C)NC(=S)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1
InChIKey: YGRFQTPANYWCIP-WOJGMQOQSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 393.61, ALogP 4.07, HBA 6, HBD 2, PSA 52.55, QED 0.46
Compound (SMILES): Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1/N=C/c1ccc(Cl)c(Cl)c1
InChIKey: VMWVYUDRQDYCBN-UFFVCSGVSA-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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 415.31, ALogP 4.81, HBA 6, HBD 2, PSA 71.75, QED 0.37
Compound (SMILES): O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccs1
InChIKey: FFVGRIFNASHCKX-DEDYPNTBSA-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 336.42, ALogP 4.09, HBA 4, HBD 1, PSA 50.69, QED 0.54
Compound (SMILES): Cn1c(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nc2ccccc21
InChIKey: YTUONBJKSAPACR-GIJQJNRQSA-N
Target: Mitogen-activated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28482
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 356.41, ALogP 2.23, HBA 7, HBD 3, PSA 99.74, QED 0.28
Compound (SMILES): CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)cc1
InChIKey: AVBVTRJODIFTFO-WSDLNYQXSA-N
Target: Histone-lysine N-methyltransferase 2A (SINGLE PROTEIN), Homo sapiens
UniProt: Q03164
Assay: PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 397.43, ALogP 3.36, HBA 6, HBD 2, PSA 94.17, QED 0.45
Compound (SMILES): Nc1c2c(=O)[nH]c(=O)c2c(N)c2c(=O)c3ccccc3c(=O)c12
InChIKey: UOBRDAVIVQKFCM-UHFFFAOYSA-N
Target: Protein S100-A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P26447
Assay: Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myosin-2A interaction using fluorescein-tagged myosin-2A peptide (1908 to 1923 residues) by fluorescence polarization assay
Measurement: EC50 = 36000 nM (pChEMBL 4.440000057220459)
Descriptors: MW 307.26, ALogP -0.04, HBA 6, HBD 3, PSA 136.11, QED 0.24
Compound (SMILES): CSC1=N/C(=C\c2c[nH]c3ccccc23)C(=O)N1
InChIKey: MRDGQLKPAZJMQY-WDZFZDKYSA-N
Target: Amine oxidase [flavin-containing] B (SINGLE PROTEIN), Homo sapiens
UniProt: P27338
Assay: Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric analysis
Measurement: IC50 = 59333 nM (pChEMBL 4.230000019073486)
Descriptors: MW 257.32, ALogP 2.36, HBA 3, HBD 2, PSA 57.25, QED 0.77
Compound (SMILES): CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: SLKCVFPEQGHNSI-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 = 10 nM (pChEMBL 8)
Descriptors: MW 427.94, ALogP 3.07, HBA 6, HBD 3, PSA 98.83, QED 0.52
Compound (SMILES): Cc1ccc(S(=O)(=O)N/N=C\c2cc3c(cc2Br)OCO3)cc1
InChIKey: KOIOEOYEOXPWEI-IUXPMGMMSA-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 = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 397.25, ALogP 2.8, HBA 5, HBD 1, PSA 76.99, QED 0.64
Compound (SMILES): O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cccc(Br)c1
InChIKey: GCIVUOPADWJTRM-VGOFMYFVSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 354.19, ALogP 3.18, HBA 5, HBD 1, PSA 84.6, QED 0.52
Compound (SMILES): Cc1ccc(S(=O)(=O)/N=C2\C=C(Nc3cccc(C(=O)O)c3)C(=O)c3ccccc32)cc1
InChIKey: DMZUKUUYYIHXNG-YYADALCUSA-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 = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 446.48, ALogP 4.06, HBA 5, HBD 2, PSA 112.9, QED 0.61
Compound (SMILES): Cc1cc2ncn(/N=C/c3ccc([N+](=O)[O-])o3)c2cc1C
InChIKey: SNJJEQAHOQSQCU-FRKPEAEDSA-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 = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 284.28, ALogP 3.04, HBA 6, HBD 0, PSA 86.46, QED 0.42
Compound (SMILES): Clc1nc2ccccc2cc1/C=N/Nc1nc2ccccc2[nH]1
InChIKey: WDHRQCWTBYKJOT-VXLYETTFSA-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 = 2511.9 nM (pChEMBL 5.599999904632568)
Descriptors: MW 321.77, ALogP 4.21, HBA 4, HBD 2, PSA 65.96, QED 0.34
Compound (SMILES): O=c1c(NCc2ccccc2F)c(Nc2ccncc2)c1=O
InChIKey: GPKQGYSDQQIJLW-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 297.29, ALogP 2.17, HBA 5, HBD 2, PSA 71.09, QED 0.71
Compound (SMILES): CCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCNC(=O)c2cccnc2)C1c1cccc([N+](=O)[O-])c1
InChIKey: JBULDSHIIYPJFT-HIXSDJFHSA-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 = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 494.5, ALogP 3.6, HBA 9, HBD 2, PSA 153.25, QED 0.18
Compound (SMILES): Clc1ccc(N/N=C(\c2ccccc2)c2ccccn2)nc1
InChIKey: YHHFKWKMXWRVTJ-OQKWZONESA-N
Target: Lysine-specific demethylase 4C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3R0
Assay: Inhibition of KDM4C (unknown origin)
Measurement: IC50 = 1000 nM (pChEMBL 6)
Descriptors: MW 308.77, ALogP 3.99, HBA 4, HBD 1, PSA 50.17, QED 0.59
Compound (SMILES): C/C(=N\NC(=O)c1cc(Cl)ccc1O)c1ccc(Br)s1
InChIKey: LXQZUQKGQOUOEE-FRKPEAEDSA-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 = 7079.5 nM (pChEMBL 5.150000095367432)
Descriptors: MW 373.66, ALogP 4.02, HBA 4, HBD 2, PSA 61.69, QED 0.63
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CCN)nccn23)n1
InChIKey: UTMRCMCLMBDPNW-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 435.51, ALogP 2.92, HBA 8, HBD 3, PSA 114.25, QED 0.39
Compound (SMILES): Nc1nc(SCC(=O)Nc2ncccn2)nc2nc[nH]c12
InChIKey: MFHIORLTERCBNH-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 302.32, ALogP 0.46, HBA 8, HBD 3, PSA 135.36, QED 0.47
Compound (SMILES): O=C(N/N=C/c1ccc(Br)s1)c1cccc([N+](=O)[O-])c1
InChIKey: NPMWGRLXMPLNMQ-VGOFMYFVSA-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 = 2238.7 nM (pChEMBL 5.650000095367432)
Descriptors: MW 354.19, ALogP 3.18, HBA 5, HBD 1, PSA 84.6, QED 0.52
Compound (SMILES): Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1
InChIKey: OEQUYEPUISUVMJ-VCHYOVAHSA-N
Target: Cytochrome P450 2C9 (SINGLE PROTEIN), Homo sapiens
UniProt: P11712
Assay: PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active
Measurement: AC50 = 1412.54 nM (pChEMBL 5.849999904632568)
Descriptors: MW 362.48, ALogP 2.8, HBA 5, HBD 1, PSA 67.76, QED 0.63
Compound (SMILES): c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1
InChIKey: AGYZUONRISUOIK-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 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 351.41, ALogP 4.54, HBA 4, HBD 1, PSA 59.39, QED 0.52
Compound (SMILES): CCOc1ccc(Oc2c(Cl)c(N3CCCCC3)nn(Cc3cccc4ccccc34)c2=O)cc1
InChIKey: YGPUOLNQYBFUQK-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 5. (Class of assay: confirmatory) 
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 490, ALogP 6.28, HBA 6, HBD 0, PSA 56.59, QED 0.31
Compound (SMILES): CN(Cc1cc(Cl)c(O)c2ncccc12)C1CCCCC1
InChIKey: JHYHWHUTTXJICB-UHFFFAOYSA-N
Target: Leukocyte tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P29376
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LTK
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 304.82, ALogP 4.36, HBA 3, HBD 1, PSA 36.36, QED 0.92
Compound (SMILES): CC(C)C/N=C/C1=C(O)c2ccccc2C1=O
InChIKey: BYUNFCURENSSJR-OVCLIPMQSA-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 229.28, ALogP 2.88, HBA 3, HBD 1, PSA 49.66, QED 0.81
Compound (SMILES): C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(Br)cc1.O=S(=O)(O)O
InChIKey: GQRYSBDPFDSUKG-LZMXEPDESA-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 = 89.1 nM (pChEMBL 7.050000190734863)
Descriptors: MW 333.19, ALogP 3.98, HBA 3, HBD 2, PSA 61.69, QED 0.66
Compound (SMILES): COc1ccc2c(Cl)c(-c3nnc4n3CCC4)sc2c1
InChIKey: FPKYIGIMMVDBFZ-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. (Class of assay: confirmatory) 
Measurement: IC50 > 99000 nM (pChEMBL 4.004000186920166)
Descriptors: MW 305.79, ALogP 3.77, HBA 5, HBD 0, PSA 39.94, QED 0.72
Compound (SMILES): COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)cc1OC
InChIKey: JIBQRJDGJCIOLE-UFFVCSGVSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 394.39, ALogP 2.59, HBA 7, HBD 2, PSA 107.06, QED 0.49
Compound (SMILES): N#Cc1ccccc1C(C#N)c1c(Cl)cnn(Cc2cccc3ccccc23)c1=O
InChIKey: CNTXOKFFKSQEJL-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 5. (Class of assay: confirmatory) 
Measurement: IC50  782 nM (pChEMBL 6.10699987411499)
Descriptors: MW 410.86, ALogP 4.63, HBA 5, HBD 0, PSA 82.47, QED 0.49
Compound (SMILES): C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccc(O)cc1
InChIKey: XZAYZAQTAXJVOT-KPKJPENVSA-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 = 7943.3 nM (pChEMBL 5.099999904632568)
Descriptors: MW 305.25, ALogP 0.09, HBA 9, HBD 2, PSA 148.43, QED 0.45
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1
InChIKey: HKZKELVPGXJIMW-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 497.62, ALogP 5.18, HBA 6, HBD 3, PSA 92.51, QED 0.34
Compound (SMILES): Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1
InChIKey: XKZINYYXWJEYEL-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 = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 454.56, ALogP 5.9, HBA 6, HBD 3, PSA 97.86, QED 0.31
Compound (SMILES): O=C(N/N=C/c1ccccc1OC(F)F)c1cc(-c2ccncc2)nc2ccccc12
InChIKey: LMBCKTWZRNYDAM-MZJWZYIUSA-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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 418.4, ALogP 4.66, HBA 5, HBD 1, PSA 76.47, QED 0.36
Compound (SMILES): CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12
InChIKey: KNARVZUUCLIBGV-UHFFFAOYSA-N
Target: Protein kinase C zeta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCZ
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 451.94, ALogP 5.2, HBA 5, HBD 4, PSA 109.14, QED 0.34
Compound (SMILES): CCCN(CCC)c1ccc(/C=C/c2ccc3cc(OCC)ccc3n2)cc1
InChIKey: BAXMFOTYCJGOCE-YRNVUSSQSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 1995.3 nM (pChEMBL 5.699999809265137)
Descriptors: MW 374.53, ALogP 6.43, HBA 3, HBD 0, PSA 25.36, QED 0.43
Compound (SMILES): NC(=S)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1
InChIKey: XHKYETSPFSDHAH-YBFXNURJSA-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 = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 365.91, ALogP 3.68, HBA 4, HBD 2, PSA 59.64, QED 0.26
Compound (SMILES): O=C(Nc1ccc(F)cc1F)C1CC(c2ccc(F)cc2)=NO1
InChIKey: YJHNSBFMFSBLOL-UHFFFAOYSA-N
Target: Apoptotic protease-activating factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14727
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule Activators of Apaf-1 in a Fluorescent assay. (Class of assay: confirmatory) 
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 320.27, ALogP 3.24, HBA 3, HBD 1, PSA 50.69, QED 0.94
Compound (SMILES): COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O
InChIKey: KTRGYJLQTZDGPX-UHFFFAOYSA-N
Target: Protein kinase C zeta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCZ
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 258.23, ALogP 1.14, HBA 5, HBD 1, PSA 77.52, QED 0.82
Compound (SMILES): O=C1Nc2cc(-c3ccc(O)cc3)ccc2C1=Cc1ccc[nH]1
InChIKey: SDBOIBYRBWPIEL-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02750
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP2K1
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 302.33, ALogP 3.88, HBA 2, HBD 3, PSA 65.12, QED 0.63
Compound (SMILES): COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1
InChIKey: PYNASVKCSAYDFI-ZVHZXABRSA-N
Target: DNA polymerase beta (SINGLE PROTEIN), Homo sapiens
UniProt: P06746
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 385.42, ALogP 4.58, HBA 5, HBD 1, PSA 76.72, QED 0.4
Compound (SMILES): COc1ccc(-c2nc3cnccn3c2NC2CCCCC2)cc1-c1cccc(Cl)c1.O=C(O)C(F)(F)F
InChIKey: MWCWJCYLPPMFON-UHFFFAOYSA-N
Target: Beta Lactamase (SINGLE PROTEIN), Pseudomonas aeruginosa
UniProt: Q932Y6
Assay: PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]
Measurement: IC50 = 6780 nM (pChEMBL 5.170000076293945)
Descriptors: MW 432.96, ALogP 6.47, HBA 5, HBD 1, PSA 51.45, QED 0.39
Compound (SMILES): Cc1c(NC2CCC(N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1
InChIKey: RVONHYLJCYPGQH-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 388.88, ALogP 4.26, HBA 6, HBD 3, PSA 80.27, QED 0.62
Compound (SMILES): Cc1cccc(-c2cccc3onc(N)c23)c1
InChIKey: ZBQOHMKSDBXJBL-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 224.26, ALogP 3.39, HBA 3, HBD 1, PSA 52.05, QED 0.69
Compound (SMILES): COc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC3=NC(=O)C(CC(=O)O)S3)c2)cc1
InChIKey: QGRISHUEGBRCRW-RGVLZGJSSA-N
Target: Calpain-2 catalytic subunit (SINGLE PROTEIN), Sus scrofa
UniProt: P43367
Assay: PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)]
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 463.49, ALogP 1.86, HBA 9, HBD 2, PSA 143.72, QED 0.34
Compound (SMILES): COc1cc2c(cc1F)C(c1ccccc1Cl)=Nc1c(n[nH]c1C)N2
InChIKey: UOVCGJXDGOGOCZ-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKE
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 356.79, ALogP 4.75, HBA 4, HBD 2, PSA 62.3, QED 0.54
Compound (SMILES): CC/N=C1/S/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(=O)N1CC
InChIKey: QUNPTKLUUPWEAK-ZIWPDZPSSA-N
Target: Sphingosine 1-phosphate receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99500
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose-response cell-based counterscreen assay to identify agonists of the Sphingosine 1-Phosphate Receptor 4 (S1P4): Sphingosine 1-Phosphate Receptor 3 (S1P3) agonist assay Set 2. (Class of assay: confirmatory) 
Measurement: EC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 354.48, ALogP 3.8, HBA 5, HBD 0, PSA 50.49, QED 0.78
Compound (SMILES): CC1=NC2=C(C(=O)CCC2)C(c2cc3c(cc2Br)OCO3)/C1=C(\O)OCCOC(C)C
InChIKey: HGOOQGKPUKXHGF-BSYVCWPDSA-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 492.37, ALogP 4.95, HBA 7, HBD 1, PSA 86.58, QED 0.45
Compound (SMILES): C=CCNC(=S)N/N=C/c1cccc([N+](=O)[O-])c1
InChIKey: DLUXKEANXIDNTQ-MDWZMJQESA-N
Target: Calpain-2 catalytic subunit (SINGLE PROTEIN), Sus scrofa
UniProt: P43367
Assay: PUBCHEM_BIOASSAY: Dose Response Confirmation for Calpain Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1236 (Primary screen preceding this confirmatory assay.)]
Measurement: IC50 = 6628.26 nM (pChEMBL 5.179999828338623)
Descriptors: MW 264.31, ALogP 1.58, HBA 4, HBD 2, PSA 79.56, QED 0.28
Compound (SMILES): NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1
InChIKey: NWMPVMMGSHXANZ-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 = 5.012 nM (pChEMBL 8.300000190734863)
Descriptors: MW 436.52, ALogP 4.52, HBA 4, HBD 3, PSA 93.03, QED 0.37
Compound (SMILES): COc1cccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)c1
InChIKey: CYLGCMABIBXHIQ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase SYK (SINGLE PROTEIN), Homo sapiens
UniProt: P43405
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SYK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 424.46, ALogP 4.13, HBA 6, HBD 2, PSA 97.72, QED 0.43
Compound (SMILES): Cc1cnn(-c2cc(N/N=C/c3cccc(F)c3)ncn2)c1
InChIKey: VWLPOCUOHYVJMV-UFWORHAWSA-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 296.31, ALogP 2.56, HBA 6, HBD 1, PSA 67.99, QED 0.59
Compound (SMILES): CC(/C=C/c1ccco1)=N/NC(=O)C1COc2ccccc2O1
InChIKey: IUJWBXOCIVRDJU-CGXKGLEISA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 312.33, ALogP 2.62, HBA 5, HBD 1, PSA 73.06, QED 0.7
Compound (SMILES): O=c1c(NCc2ccc(Cl)cc2)c(Nc2ccncc2)c1=O
InChIKey: LCKDESRGCHSHHO-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 313.74, ALogP 2.69, HBA 5, HBD 2, PSA 71.09, QED 0.71
Compound (SMILES): CN(c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O)S(C)(=O)=O
InChIKey: MWYKOESKEDEXHN-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 393.47, ALogP 4.06, HBA 4, HBD 2, PSA 78.51, QED 0.7
Compound (SMILES): COc1ccc(-c2cc(-c3ccccc3)nc3ncnc(NC(=O)COCC(=O)O)c23)cc1
InChIKey: JCUOWWYFVWFJDW-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 444.45, ALogP 3.41, HBA 7, HBD 2, PSA 123.53, QED 0.42
Compound (SMILES): CO/N=C\C(=N\Nc1ccc(OC)cc1)C(=O)c1ccccc1
InChIKey: LKNDICQRZVTUGV-XINTZDSYSA-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 = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 311.34, ALogP 2.98, HBA 6, HBD 1, PSA 72.28, QED 0.48
Compound (SMILES): CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)[C@](C)(O)C1
InChIKey: UYRDHEJRPVSJFM-VSWVFQEASA-N
Target: Genome polyprotein (SINGLE PROTEIN), dengue virus type 2
UniProt: P29990
Assay: Inhibition of DENV1 NS2B-NS3 serine protease expressed in human Huh7 cells after 3 days by luciferase reporter gene assay
Measurement: EC50 = 5840 nM (pChEMBL 5.230000019073486)
Descriptors: MW 630.82, ALogP 7.21, HBA 7, HBD 2, PSA 105.59, QED 0.13
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)cccc12
InChIKey: OUORNBBPANSKFS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase BRSK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDC3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KIAA1811
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 366.73, ALogP 4.95, HBA 3, HBD 2, PSA 66.91, QED 0.67
Compound (SMILES): COc1ccc(C(=O)/C=C/Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1OC
InChIKey: QKUQAJZGQJUVIU-VAWYXSNFSA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 468.54, ALogP 3.72, HBA 8, HBD 2, PSA 119.51, QED 0.36
Compound (SMILES): CS(=O)(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: CNQGNADBGYCKKV-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 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 420.93, ALogP 2.95, HBA 6, HBD 3, PSA 112.66, QED 0.55
Compound (SMILES): Cc1ccc(/C=N/NC(=O)c2cc(C)oc2C)cc1
InChIKey: YHURJBWRKUZKGY-CXUHLZMHSA-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 = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 256.31, ALogP 2.97, HBA 3, HBD 1, PSA 54.6, QED 0.68
Compound (SMILES): C/C(=N\NC(=S)NCc1ccccc1)c1ccc(Cl)s1
InChIKey: LPMLLEOMADJENW-LICLKQGHSA-N
Target: Mitochondrial import inner membrane translocase subunit TIM23 (SINGLE PROTEIN), Saccharomyces cerevisiae S288c
UniProt: P32897
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1: a luminescent tim23-1 yeast counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID493003]
Measurement: IC50 = 17500 nM (pChEMBL 4.760000228881836)
Descriptors: MW 323.87, ALogP 3.79, HBA 3, HBD 2, PSA 36.42, QED 0.51
Compound (SMILES): Cc1ccc2nc(Nc3ccccc3)c(/C=N/O)c(=O)n2c1
InChIKey: WQAMFFJSEXOHTM-RQZCQDPDSA-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 = 50118.7 nM (pChEMBL 4.300000190734863)
Descriptors: MW 294.31, ALogP 2.55, HBA 6, HBD 2, PSA 78.99, QED 0.44
Compound (SMILES): O=C(CCc1ccc(O)c(O)c1)N/N=C/c1ccc2c(c1)OCO2
InChIKey: XZSAOYKGXIXKNQ-GIJQJNRQSA-N
Target: Pyruvate kinase (SINGLE PROTEIN), Leishmania mexicana
UniProt: Q27686
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Activators of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) 
Measurement: Potency = 398.1 nM (pChEMBL 6.400000095367432)
Descriptors: MW 328.32, ALogP 1.91, HBA 6, HBD 3, PSA 100.38, QED 0.44
Compound (SMILES): O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)N1CCOCC1
InChIKey: XYTMAKGIZAXHLL-UHFFFAOYSA-N
Target: DNA dC->dU-editing enzyme APOBEC-3A (SINGLE PROTEIN), Homo sapiens
UniProt: P31941
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of APOBEC3A DNA Deaminase via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) 
Measurement: IC50 > 99000 nM (pChEMBL 4.004000186920166)
Descriptors: MW 394.91, ALogP 3.06, HBA 7, HBD 0, PSA 59.73, QED 0.64
Compound (SMILES): Cc1sc2[nH]c(=O)n3nc(-c4ccncc4)nc3c2c1C
InChIKey: MONUZQWCBUZODF-UHFFFAOYSA-N
Target: Rho-associated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75116
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK2
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 297.34, ALogP 2.31, HBA 6, HBD 1, PSA 75.94, QED 0.58
Compound (SMILES): O=C(N/N=C/c1ccc(O)cc1O)c1ccc(NC(=O)C2CCCCC2)cc1
InChIKey: IEVNMZBVZZWMDL-LPYMAVHISA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 381.43, ALogP 3.38, HBA 5, HBD 4, PSA 111.02, QED 0.47
Compound (SMILES): COc1cccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1
InChIKey: FTZXWGISOMKGDH-UFWORHAWSA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) 
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 370.37, ALogP -0.41, HBA 9, HBD 1, PSA 112.51, QED 0.48
Compound (SMILES): CCOC(=O)c1c(NC(C)=O)sc2c1CCC(/C=N/CCCN(CC)CC)=C2Sc1ccccc1
InChIKey: BQMGPIIJXGVJCJ-MTDXEUNCSA-N
Target: Replicative DNA helicase DnaB (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WMR3
Assay: PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Non-Covalent Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950]
Measurement: AC50 = 311 nM (pChEMBL 6.510000228881836)
Descriptors: MW 513.73, ALogP 6.14, HBA 7, HBD 1, PSA 71, QED 0.21
Compound (SMILES): COc1ccc(Oc2c(Cl)cnn(Cc3ccccc3C(C)C)c2=O)cc1
InChIKey: JFZCBLREURRVAU-UHFFFAOYSA-N
Target: Neuropeptides B/W receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48145
Assay: Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR assay
Measurement: IC50 = 640 nM (pChEMBL 6.190000057220459)
Descriptors: MW 384.86, ALogP 4.87, HBA 5, HBD 0, PSA 53.35, QED 0.61
Compound (SMILES): Clc1ccc(-c2nc(/C=N/N3CCOCC3)c3ccccn23)cc1
InChIKey: PJVOAZMVIYLJHI-DEDYPNTBSA-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 340.81, ALogP 3.32, HBA 5, HBD 0, PSA 42.13, QED 0.69
Compound (SMILES): Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2c[nH]nc2-c2ccc(F)cc2)n(C)c1=O
InChIKey: GEMRQMMWCHIEKF-QPJQQBGISA-N
Target: Relaxin receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBX9
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) 
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 424.4, ALogP 0.11, HBA 9, HBD 2, PSA 131.96, QED 0.35
Compound (SMILES): Cc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(O)c1
InChIKey: QIYSLHWAFNWSNV-VCHYOVAHSA-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 = 562.3 nM (pChEMBL 6.25)
Descriptors: MW 302.76, ALogP 3.05, HBA 3, HBD 2, PSA 61.69, QED 0.67
Compound (SMILES): Oc1ccc(/C=N/Nc2nccnc2Cl)cc1
InChIKey: AGLWYFYYLJIZHI-VIZOYTHASA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 248.67, ALogP 2.28, HBA 5, HBD 2, PSA 70.4, QED 0.65
Compound (SMILES): C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)Cn3cc(C[C@@H](C)O)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)n1
InChIKey: ZEOQUGZCQLGFCM-ZAFJZLJTSA-N
Target: Alkaline phosphatase, germ cell type (SINGLE PROTEIN), Homo sapiens
UniProt: P10696
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intestinal Alkaline Phosphatase using Placental Alkaline Phosphatase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2806, AID2818]
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 1218.65
Compound (SMILES): COc1cc(/C=N/NC(=S)NC2CC3C=CC2C3)cc(OC)c1OC
InChIKey: KTYWYQHDGYWPLM-VXLYETTFSA-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 = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 361.47, ALogP 2.48, HBA 5, HBD 2, PSA 64.11, QED 0.35
Compound (SMILES): Cc1ccc(/C=N/Nc2nnc(Cl)c3ccccc23)cc1
InChIKey: IEAMDIHJDSBRHO-VCHYOVAHSA-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 296.76, ALogP 4.04, HBA 4, HBD 1, PSA 50.17, QED 0.59
Compound (SMILES): Nc1ncnc2c1C(=O)Nc1ccccc1N2
InChIKey: NKZVCOXZDFTYPG-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UQM7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2A
Measurement: Ki = 39810.72 nM (pChEMBL 4.400000095367432)
Descriptors: MW 227.23, ALogP 1.37, HBA 5, HBD 3, PSA 92.93, QED 0.63
Compound (SMILES): C/C(CC(=O)NCc1ccco1)=N\NC(=O)COc1ccc(Cl)cc1Cl
InChIKey: TYXPLTBFYQWEKN-SRZZPIQSSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 398.25, ALogP 3.16, HBA 5, HBD 2, PSA 92.93, QED 0.53