lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CC1CCCC(/C=N/c2ccc(C(=O)O)cc2)=C1O
InChIKey: HNWCGHUBCAVSRB-CXUHLZMHSA-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 259.31, ALogP 3.72, HBA 3, HBD 2, PSA 69.89, QED 0.81
Compound (SMILES): O=C(N/N=C/c1ccccn1)c1cccc([N+](=O)[O-])c1
InChIKey: BDIPDGBKQLKZNG-OQLLNIDSSA-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 270.25, ALogP 1.75, HBA 5, HBD 1, PSA 97.49, QED 0.52
Compound (SMILES): O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3cc4ccccc4cc3O)sc2=O)c1
InChIKey: JTKJNYPWSRXMMI-OPEKNORGSA-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 481.92, ALogP 3.93, HBA 7, HBD 3, PSA 120.99, QED 0.28
Compound (SMILES): COc1cc(/C=N/N2C(=O)c3ccccc3NC2(C)c2cccc([N+](=O)[O-])c2)cc(Br)c1O
InChIKey: WBBDRLYXNCTPRP-DHRITJCHSA-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 511.33, ALogP 4.85, HBA 7, HBD 2, PSA 117.3, QED 0.29
Compound (SMILES): Br.CN(C)c1n/c(=N/c2cccc(Cl)c2)ss1
InChIKey: GYHPIJXFPKXVPT-MWMYENNMSA-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 = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 271.8, ALogP 3.16, HBA 5, HBD 0, PSA 28.49, QED 0.79
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)c(Cl)ccc12
InChIKey: JFGACSUTAMZDKC-UHFFFAOYSA-N
Target: Misshapen-like kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4C8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MINK
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 401.18, ALogP 5.6, HBA 3, HBD 2, PSA 66.91, QED 0.59
Compound (SMILES): CCN(/N=C/c1ccc(Cl)cc1)c1cc(=O)n(C)c(=O)[nH]1
InChIKey: OSHPWVBGYYZDQD-CXUHLZMHSA-N
Target: Nuclear receptor subfamily 1 group I member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75469
Assay: PUBCHEM_BIOASSAY: Luminescence-based counterscreen for activators of the Aryl Hydrocarbon Receptor (AHR): cell-based high throughput dose response screening assay for activators of the Pregnane X Receptor (PXR). (Class of assay: confirmatory) [Related pubchem assays: 2796 (Primary screen (AHR activators in singlicate)), 2845 (Confirmation screen (AHR activators in triplicate)), 434939 (Counterscreen (PXR activators in triplicate)), 2804 (Summary (AHR activators))]
Measurement: EC50 = 78478 nM (pChEMBL 4.110000133514404)
Descriptors: MW 306.75, ALogP 1.59, HBA 5, HBD 1, PSA 70.46, QED 0.69
Compound (SMILES): CCc1ccc(O)c(/N=C/c2ccccc2O)c1
InChIKey: WXSWASZSRDEVLW-MHWRWJLKSA-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 = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 241.29, ALogP 3.41, HBA 3, HBD 2, PSA 52.82, QED 0.81
Compound (SMILES): COc1cccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)c1
InChIKey: OIGFPNSBGRKLAV-FSJBWODESA-N
Target: DNA dC->dU-editing enzyme APOBEC-3G (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HC16
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitors via a A3G counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024]
Measurement: IC50 = 3840 nM (pChEMBL 5.420000076293945)
Descriptors: MW 422.4, ALogP 3.56, HBA 8, HBD 1, PSA 125.18, QED 0.33
Compound (SMILES): CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4c(c3)OCO4)[nH]n2)cc1
InChIKey: OHTCHPOEDGWCOZ-SRZZPIQSSA-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 = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 377.4, ALogP 2.64, HBA 6, HBD 2, PSA 91.84, QED 0.53
Compound (SMILES): CC(C)(C)c1cc(NC(=O)C(=O)c2cccc3ccccc23)n(-c2ccc(OCC(=O)NCCO)cc2)n1
InChIKey: CCGONFUHNLRGRE-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PTK2
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 514.58, ALogP 3.63, HBA 7, HBD 3, PSA 122.55, QED 0.23
Compound (SMILES): Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1
InChIKey: NTVWKXIFLUEAAW-RPPGKUMJSA-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 = 7943.3 nM (pChEMBL 5.099999904632568)
Descriptors: MW 389.43, ALogP 4.29, HBA 6, HBD 0, PSA 57.23, QED 0.46
Compound (SMILES): CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C
InChIKey: PBNKREGCQAYWMQ-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 404.47, ALogP 5.8, HBA 5, HBD 1, PSA 84.4, QED 0.45
Compound (SMILES): Cn1nnnc1N=N/C(=N/Nc1ccccc1)c1ccccc1
InChIKey: NCVHOSOLDNCFRL-HQBRGBFESA-N
Target: Latent membrane protein 1 (SINGLE PROTEIN), Human herpesvirus 4 (strain B95-8)
UniProt: P03230
Assay: PUBCHEM_BIOASSAY: Lymphoblastoid Cells (LCL) Cytotoxicity Secondary Assay Measured in Cell-Based System Using Plate Reader - 2122-03_Inhibitor_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586]
Measurement: AC50 = 1712 nM (pChEMBL 5.769999980926514)
Descriptors: MW 306.33, ALogP 2.77, HBA 7, HBD 1, PSA 92.71, QED 0.35
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2NCCCN)c1
InChIKey: ZRTWUBWXIGHVET-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 404.51, ALogP 4.01, HBA 5, HBD 3, PSA 89.27, QED 0.47
Compound (SMILES): O=C(Nc1nc2c(s1)CCC2)c1cc2ccccc2s1
InChIKey: JKMZIFLIUNKSLZ-UHFFFAOYSA-N
Target: Adenosine receptor A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30542
Assay: Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells incubated for 1 hr by fluorescence analysis
Measurement: Ki = 2818.38 nM (pChEMBL 5.550000190734863)
Descriptors: MW 300.41, ALogP 4.1, HBA 4, HBD 1, PSA 41.99, QED 0.77
Compound (SMILES): CC(=O)O.CNc1nc(N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)nc(Nc2ccccc2)n1
InChIKey: VEYFQCABOUPUJK-NFLPFLSFSA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 408.38, ALogP 2.74, HBA 11, HBD 3, PSA 148.72, QED 0.3
Compound (SMILES): CN1CCN(CCCNc2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)n2)CC1
InChIKey: HKRUFMXPSVYVMY-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V86
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM3
Measurement: Ki = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 393.5, ALogP 1.77, HBA 6, HBD 3, PSA 103.17, QED 0.53
Compound (SMILES): COCCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)S/C1=N/c1ccccc1
InChIKey: FIRLYGZPJATCRK-LTUYXDACSA-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 = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 481.62, ALogP 4.94, HBA 7, HBD 0, PSA 63.6, QED 0.37
Compound (SMILES): Cc1nc2ccc(NS(=O)(=O)c3ccc(N)cc3)cc2nc1C
InChIKey: LKUJDAHYLPICSE-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 328.4, ALogP 2.63, HBA 5, HBD 2, PSA 97.97, QED 0.72
Compound (SMILES): COc1cccc2c1Nc1cc(Nc3ccncc3)ccc1C(=O)N2
InChIKey: VKWVIEBXAPQKKA-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 332.36, ALogP 4.14, HBA 5, HBD 3, PSA 75.28, QED 0.67
Compound (SMILES): COc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: JBLPUDJLELBRHC-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase alpha-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51812
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA3
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 318.38, ALogP 3.69, HBA 3, HBD 1, PSA 51.22, QED 0.78
Compound (SMILES): O=C1N=C(N/N=C/c2cccs2)SC1Cc1cccc(Cl)c1Cl
InChIKey: NUICNRUIBGARID-QGMBQPNBSA-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 = 316.2 nM (pChEMBL 6.5)
Descriptors: MW 384.31, ALogP 4.22, HBA 5, HBD 1, PSA 53.82, QED 0.63
Compound (SMILES): N#Cc1ccc(OCC(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)cc1
InChIKey: QBUJNSNDZCHEPL-SSDVNMTOSA-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 = 20300 nM (pChEMBL 4.690000057220459)
Descriptors: MW 411.87, ALogP 3.94, HBA 7, HBD 2, PSA 99.4, QED 0.45
Compound (SMILES): Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccco4)n(Cc4ccco4)c3nc12
InChIKey: HSLVLERSHNOGAH-LHLOQNFPSA-N
Target: Ferritin light chain (SINGLE PROTEIN), Equus caballus
UniProt: P02791
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]
Measurement: Potency = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 425.4, ALogP 2.8, HBA 8, HBD 0, PSA 118.8, QED 0.41
Compound (SMILES): O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1
InChIKey: OHKQJEGTOCPDIP-YBFXNURJSA-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 = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 336.31, ALogP 3.01, HBA 6, HBD 1, PSA 110.63, QED 0.44
Compound (SMILES): O=[N+]([O-])c1ccc(N/N=C/c2ccc(O)c(O)c2O)c(S(=O)(=O)N2CCOCC2)c1
InChIKey: JRMDUMGVCKYACZ-VCHYOVAHSA-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 = 7943.3 nM (pChEMBL 5.099999904632568)
Descriptors: MW 438.42, ALogP 1.18, HBA 10, HBD 4, PSA 174.83, QED 0.22
Compound (SMILES): O=C(O)c1ccccc1N/N=C/c1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O
InChIKey: CNELPSOWFYTFOH-ZVHZXABRSA-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 = 1995.3 nM (pChEMBL 5.699999809265137)
Descriptors: MW 484.5, ALogP 2.97, HBA 11, HBD 2, PSA 139.66, QED 0.2
Compound (SMILES): Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCCCC2)n1
InChIKey: CLEGDJQQHUTCOW-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 > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 327.82, ALogP 4.42, HBA 4, HBD 2, PSA 66.49, QED 0.7
Compound (SMILES): CCCCC(=O)Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1
InChIKey: JLTBOCSFMNSLFH-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O95819
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K4
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 328.8, ALogP 4.41, HBA 3, HBD 2, PSA 70.67, QED 0.68
Compound (SMILES): CC(C)CNC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: KTWBYGUSEYSRND-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit PRKX (SINGLE PROTEIN), Homo sapiens
UniProt: P51817
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKX
Measurement: Ki = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 398.94, ALogP 4.64, HBA 5, HBD 3, PSA 78.52, QED 0.53
Compound (SMILES): O=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCCCC1
InChIKey: ZVZCNOQSOULQEK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZL6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKD2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 296.33, ALogP 2.84, HBA 4, HBD 1, PSA 75.02, QED 0.79
Compound (SMILES): O=C1CCCc2oc3cc(C(F)(F)F)ccc3c(=O)c21
InChIKey: YCBJUIHLMYFQSQ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase ROS (SINGLE PROTEIN), Homo sapiens
UniProt: P08922
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROS1
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 282.22, ALogP 3.33, HBA 3, HBD 0, PSA 47.28, QED 0.74
Compound (SMILES): Cc1ccc(Cl)cc1NC1=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc2C1=O
InChIKey: BGOWMRGDUSUEFJ-HKOYGPOVSA-N
Target: Serine/threonine-protein phosphatase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BPW0
Assay: PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for inhibitors of Protein Phosphatase 5 (PP5). (Class of assay: confirmatory) [Related pubchem assays: 2034 (Summary (PP5 inhibitors)), 1987 (Primary screen (PP5 inhibitors)), 2235 (Counterscreen (PP1 inhibitors in singlate))]
Measurement: IC50 = 2490 nM (pChEMBL 5.599999904632568)
Descriptors: MW 442.95, ALogP 5.08, HBA 5, HBD 1, PSA 75.6, QED 0.61
Compound (SMILES): O=C(N/N=C1/CCC/C1=C(/O)C(F)(F)F)c1ccccc1O
InChIKey: VWYFHTRAXLFSAN-DBYWGYFBSA-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 = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 314.26, ALogP 3.04, HBA 4, HBD 3, PSA 81.92, QED 0.58
Compound (SMILES): Cc1ccccc1-c1nnc(S)n1/N=C/C=C/c1ccco1
InChIKey: IZTSMEYCXKPULQ-CUQLSPFUSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 310.38, ALogP 3.68, HBA 6, HBD 1, PSA 56.21, QED 0.59
Compound (SMILES): O=C(Cc1ccccc1)N/N=C/c1cc(Br)cc(Cl)c1O
InChIKey: RBWULQHYARRUKT-GIJQJNRQSA-N
Target: Streptokinase A (SINGLE PROTEIN), Streptococcus pyogenes serotype M1
UniProt: P10520
Assay: PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)]
Measurement: EC50 = 1521 nM (pChEMBL 5.820000171661377)
Descriptors: MW 367.63, ALogP 3.5, HBA 3, HBD 2, PSA 61.69, QED 0.64
Compound (SMILES): CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3nc[nH]c3n2)cc1
InChIKey: PROLIXHVRCJEFH-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase TBK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHD2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TBK1
Measurement: Ki = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 351.41, ALogP 3.04, HBA 6, HBD 3, PSA 98.83, QED 0.63
Compound (SMILES): CC(=O)Nc1cc(N)c(C#N)c(-c2ccsc2)n1
InChIKey: ZFBBVSHFSXNGFK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00444
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK4
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 258.31, ALogP 2.22, HBA 5, HBD 2, PSA 91.8, QED 0.86
Compound (SMILES): Cc1ccc(Cn2cc(/C=N/Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)cc1
InChIKey: ZNZYZSALWDCRJS-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 = 7943.3 nM (pChEMBL 5.099999904632568)
Descriptors: MW 385.43, ALogP 4.75, HBA 6, HBD 1, PSA 85.35, QED 0.29
Compound (SMILES): O=C(N/N=C/c1ccccn1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
InChIKey: VYJCLCQRVRAXDP-LPYMAVHISA-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 = 14091.9 nM (pChEMBL 4.849999904632568)
Descriptors: MW 389.37, ALogP 3.01, HBA 6, HBD 2, PSA 126.59, QED 0.38
Compound (SMILES): Oc1ccc(Nc2ncnc3scc(Cl)c23)cc1
InChIKey: FFFPNQJGIVIKKA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: P53778
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK12
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 277.74, ALogP 3.79, HBA 5, HBD 2, PSA 58.04, QED 0.7
Compound (SMILES): CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1Cl
InChIKey: XFRGIDBALWLGDZ-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q13627
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1A
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 384.85, ALogP 1.29, HBA 6, HBD 3, PSA 137.4, QED 0.69
Compound (SMILES): O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccccc1)c1ccco1
InChIKey: ZBVMFYIAGCLVCR-UDWIEESQSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 348.31, ALogP 4.5, HBA 7, HBD 0, PSA 90.97, QED 0.39
Compound (SMILES): Cc1ccc(NC(=O)CO/N=C/c2ccc(N(C)C)cc2)cc1
InChIKey: YONMVYHOCRREDG-XDHOZWIPSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 311.39, ALogP 3.05, HBA 4, HBD 1, PSA 53.93, QED 0.66
Compound (SMILES): Cc1nonc1C(=O)N/N=C/c1ccc(O)c(O)c1
InChIKey: VDMQGTBBADQMCO-LFYBBSHMSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photuris pensylvanica
UniProt: Q27757
Assay: PUBCHEM_BIOASSAY: Counterscreen for Luciferase (Kinase-Glo TM) Inhibition. (Class of assay: confirmatory) 
Measurement: Potency = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 262.23, ALogP 0.55, HBA 7, HBD 3, PSA 120.84, QED 0.42
Compound (SMILES): Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12
InChIKey: DOLVPVSWTLFZMQ-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 423.4, ALogP 5.54, HBA 4, HBD 3, PSA 92.93, QED 0.38
Compound (SMILES): O=c1cc(-c2ccc(F)cc2)[nH]c2c(-c3ccc(F)cc3)cnn12
InChIKey: HNZBELVVHGZHII-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2X6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK2
Measurement: Ki = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 323.3, ALogP 3.63, HBA 3, HBD 1, PSA 50.16, QED 0.61
Compound (SMILES): CC(C)(C)c1n[nH]c2c1C(c1ccccc1F)C(C#N)=C(N)O2
InChIKey: SAVYFZRLWUDEDV-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 312.35, ALogP 3.06, HBA 4, HBD 2, PSA 87.72, QED 0.85
Compound (SMILES): Cc1ccc(/C=N/Nc2nc3ccccc3s2)o1
InChIKey: LTXDTWKNTWLFTN-RIYZIHGNSA-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 = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 257.32, ALogP 3.64, HBA 5, HBD 1, PSA 50.42, QED 0.58
Compound (SMILES): Cc1nnc(S)n1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIKey: DMFOYLKFWPNFCW-OVCLIPMQSA-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 = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 329.34, ALogP 2.93, HBA 8, HBD 1, PSA 99.35, QED 0.34
Compound (SMILES): C/C1=C/[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@]32C(=O)/C=C\C(=O)[C@@H]1O
InChIKey: OUMWCYMRLMEZJH-HPXKREMXSA-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 = 891.3 nM (pChEMBL 6.050000190734863)
Descriptors: MW 528.65, ALogP 3.83, HBA 5, HBD 3, PSA 111.79, QED 0.31
Compound (SMILES): C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(=O)O)n3cc(CCCCCN)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)n1
InChIKey: IIKXNLYBHBNDTI-BFGZFBQASA-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 reconfirm. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485273, AID485343, AID493155]
Measurement: IC50 = 4517 nM (pChEMBL 5.340000152587891)
Descriptors: MW 1317.78
Compound (SMILES): COC(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O
InChIKey: PIYLMTVHAQUHKQ-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 344.37, ALogP 4.45, HBA 4, HBD 2, PSA 67.43, QED 0.67
Compound (SMILES): c1nc(-c2ccc3c(c2)OCO3)c2cc[nH]c2n1
InChIKey: QNLMLEYLZSGBHP-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 239.23, ALogP 2.35, HBA 4, HBD 1, PSA 60.03, QED 0.71
Compound (SMILES): O=S(=O)(O)c1ccc(NCc2ccc3c(c2)OCO3)c2c(O)cccc12
InChIKey: BNLPAUPVSCPTDM-UHFFFAOYSA-N
Target: Eukaryotic elongation factor 2 kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00418
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EEF2K
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 373.39, ALogP 3.13, HBA 6, HBD 3, PSA 105.09, QED 0.6
Compound (SMILES): CSc1nn(-c2ccccn2)c(N)c1C(N)=O
InChIKey: VBUWAJWPXASNGM-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: Q13555
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2G
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 249.3, ALogP 0.67, HBA 6, HBD 2, PSA 99.82, QED 0.78
Compound (SMILES): Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3C3CC3)cc12
InChIKey: UOOFSEUSROQBBP-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 330.4, ALogP 3.33, HBA 5, HBD 2, PSA 85.41, QED 0.6
Compound (SMILES): CCN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: UGUZOLHBLLTLBA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK14
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 498.63, ALogP 5.39, HBA 5, HBD 3, PSA 105.28, QED 0.32
Compound (SMILES): CNC1CCN(c2nc3[nH]cc(C(=O)O)c(=O)c3c(C)c2Br)C1
InChIKey: DYAKPPODIHJSHS-UHFFFAOYSA-N
Target: Protein kinase C delta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05655
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCD
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 381.23, ALogP 1.49, HBA 5, HBD 3, PSA 98.32, QED 0.75
Compound (SMILES): CCNC(=S)N/N=C(\C)c1ccco1
InChIKey: YMFKMLILBXQDRK-YRNVUSSQSA-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 = 17740.7 nM (pChEMBL 4.75)
Descriptors: MW 211.29, ALogP 1.49, HBA 3, HBD 2, PSA 49.56, QED 0.45
Compound (SMILES): Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1
InChIKey: JCTPJYZESAMIGH-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZL6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKD2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 380.39, ALogP 1.72, HBA 10, HBD 2, PSA 137.11, QED 0.4
Compound (SMILES): CCN(CC)CCNC(=O)C=Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12
InChIKey: XJSFDMGICAWQFS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZL6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKD2
Measurement: Ki = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 542.71, ALogP 5.97, HBA 6, HBD 4, PSA 112.38, QED 0.18
Compound (SMILES): O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3o2)cc1
InChIKey: FXQWJULRETZHHW-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 341.37, ALogP 4.48, HBA 4, HBD 2, PSA 67.16, QED 0.58
Compound (SMILES): CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCC1
InChIKey: YSOYNKDERAPHBG-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 330.47, ALogP 4.91, HBA 3, HBD 0, PSA 46.34, QED 0.79
Compound (SMILES): O=C(N/N=C/c1ccccc1O)/C(=C/c1ccccc1)CCO
InChIKey: VAKTYADCYHVMJR-CAOIWOLBSA-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 = 1122 nM (pChEMBL 5.949999809265137)
Descriptors: MW 310.35, ALogP 2.31, HBA 4, HBD 3, PSA 81.92, QED 0.43
Compound (SMILES): O=C(O)c1ccc(N/N=C/C=C/c2ccc([N+](=O)[O-])o2)cc1
InChIKey: JBJXFVMXTOQXQK-WBTNUNKFSA-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 = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 301.26, ALogP 3, HBA 6, HBD 2, PSA 117.97, QED 0.48
Compound (SMILES): OCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIKey: LDNDTZTXPRCUJS-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 297.33, ALogP 3.13, HBA 4, HBD 1, PSA 50.94, QED 0.79
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncn3)cc2)c1
InChIKey: MBRVCJRFWYHVHE-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 333.39, ALogP 3.64, HBA 4, HBD 1, PSA 64.11, QED 0.77
Compound (SMILES): CCN(CC)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)c(O)c1
InChIKey: WSDHPUOHJBWIOH-WQRHYEAKSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 365.46, ALogP 3.01, HBA 6, HBD 1, PSA 57.84, QED 0.6
Compound (SMILES): Nc1nccc2nc(-c3ccccc3)cn12
InChIKey: RVVTUSAJTOJUOB-UHFFFAOYSA-N
Target: High affinity nerve growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04629
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK1
Measurement: Ki = 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 210.24, ALogP 1.98, HBA 4, HBD 1, PSA 56.21, QED 0.67
Compound (SMILES): CS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIKey: IJVDETPCUCZHTR-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00444
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK4
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 302.36, ALogP 2.18, HBA 4, HBD 3, PSA 100.87, QED 0.69
Compound (SMILES): C=CCOc1ccc(/C=N/c2ccc(OC)cc2)c(O)c1
InChIKey: VKEFSUHTTKOZOQ-LDADJPATSA-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 = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 283.33, ALogP 3.72, HBA 4, HBD 1, PSA 51.05, QED 0.65
Compound (SMILES): Cc1ccc(CO/N=C\Cc2snc(Sc3ncc(C(F)(F)F)cc3Cl)c2C#N)cc1
InChIKey: CPFSCJOSSXSTPW-FEDGQQDLSA-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 482.94, ALogP 6.29, HBA 7, HBD 0, PSA 71.16, QED 0.29
Compound (SMILES): O/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12
InChIKey: LXWSIAGOPABWSX-RGVLZGJSSA-N
Target: DNA damage-inducible transcript 3 protein (SINGLE PROTEIN), Mus musculus
UniProt: P35639
Assay: PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217]
Measurement: IC50 > 10000 nM (pChEMBL 5)
Descriptors: MW 311.77, ALogP 4.88, HBA 3, HBD 1, PSA 41.82, QED 0.42
Compound (SMILES): Nc1c(C(=O)N/N=C/c2cccnc2)oc2nc(-c3ccco3)cc(-c3ccco3)c12
InChIKey: WJLCXHLJYYHQBC-BRJLIKDPSA-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 413.39, ALogP 4.09, HBA 8, HBD 2, PSA 132.68, QED 0.33
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)c(F)c2)c1
InChIKey: TVEREFRWBLRPPJ-UHFFFAOYSA-N
Target: Death-associated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43293
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 350.39, ALogP 4.39, HBA 3, HBD 1, PSA 51.22, QED 0.74
Compound (SMILES): C/C(=N\NC(=O)c1c(Br)c(C)nn1C)c1ccc(NC(=O)c2ccoc2C)cc1
InChIKey: IHHVYBNVWIERER-FOKLQQMPSA-N
Target: 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (SINGLE PROTEIN), Homo sapiens
UniProt: P15428
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 458.32, ALogP 3.8, HBA 6, HBD 2, PSA 101.52, QED 0.45
Compound (SMILES): C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccs1
InChIKey: POPRZOIJERZUQV-OQLLNIDSSA-N
Target: Pyruvate kinase (SINGLE PROTEIN), Leishmania mexicana
UniProt: Q27686
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) [Related pubchem assays: 1379 ]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 278.76, ALogP 3.56, HBA 3, HBD 1, PSA 41.46, QED 0.68
Compound (SMILES): O=C(N/N=C/c1ccccc1O)/C(O)=C\C1=NC2(CCCC2)Cc2ccccc21
InChIKey: QOBLGNJPECBIEP-VIAAJXJMSA-N
Target: Streptokinase A (SINGLE PROTEIN), Streptococcus pyogenes serotype M1
UniProt: P10520
Assay: PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)]
Measurement: EC50 = 2270 nM (pChEMBL 5.639999866485596)
Descriptors: MW 389.46, ALogP 3.64, HBA 5, HBD 3, PSA 94.28, QED 0.32
Compound (SMILES): O=C(N/N=C/C(Br)=C\c1ccccc1)c1ccc2[nH]cnc2c1
InChIKey: FHWPVKBMVXZHIK-QXSLLBHJSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 369.22, ALogP 3.71, HBA 3, HBD 2, PSA 70.14, QED 0.54
Compound (SMILES): C/C(=N\Nc1nc2ccc(Cl)cc2o1)c1ccccc1
InChIKey: XSJDAXYHQNNLJN-VCHYOVAHSA-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 = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 285.73, ALogP 4.32, HBA 4, HBD 1, PSA 50.42, QED 0.58
Compound (SMILES): CC1=NN(c2cccc(Br)c2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O
InChIKey: FSANMCKFZIBYGJ-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase alpha-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51812
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 486.33, ALogP 4.94, HBA 6, HBD 1, PSA 93.99, QED 0.41
Compound (SMILES): CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)C2CCN3CC2)c(O)c1
InChIKey: URAKQROFWQKFAL-YDZHTSKRSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 380.52, ALogP 4.62, HBA 6, HBD 1, PSA 62.86, QED 0.77
Compound (SMILES): CC(C)NC(=O)COc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)c1
InChIKey: GKHIVNAUVKXIIY-UHFFFAOYSA-N
Target: RAC-gamma serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y243
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 452.52, ALogP 4.82, HBA 6, HBD 3, PSA 104.82, QED 0.33
Compound (SMILES): Cc1cccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)[nH]n2)c1
InChIKey: QLFQYEDTPKEPQK-UDWIEESQSA-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 = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 360.45, ALogP 3.81, HBA 6, HBD 2, PSA 71.75, QED 0.43
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1Br)C(C#N)=C(N)O2
InChIKey: QLFYNNXVNUZXMI-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AXL
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 331.17, ALogP 2.7, HBA 4, HBD 2, PSA 87.72, QED 0.84
Compound (SMILES): CS(=O)(=O)NC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: LACOMQAWPSFXQC-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit PRKX (SINGLE PROTEIN), Homo sapiens
UniProt: P51817
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKX
Measurement: Ki = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 420.93, ALogP 2.95, HBA 6, HBD 3, PSA 112.66, QED 0.55
Compound (SMILES): Cc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(-c2ccccc2O)n1
InChIKey: DHQGOAHGMRINPG-YDZHTSKRSA-N
Target: Streptokinase A (SINGLE PROTEIN), Streptococcus pyogenes serotype M1
UniProt: P10520
Assay: PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)]
Measurement: EC50 = 257 nM (pChEMBL 6.590000152587891)
Descriptors: MW 370.41, ALogP 4.46, HBA 6, HBD 3, PSA 90.63, QED 0.36
Compound (SMILES): COc1ccccc1/C=N/Nc1nccnc1Cl
InChIKey: CYPFZMCBQXVITP-LZYBPNLTSA-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 = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 262.7, ALogP 2.58, HBA 5, HBD 1, PSA 59.4, QED 0.68
Compound (SMILES): Cc1cc(N/N=C/c2ccc(O)cc2)nc(NS(=O)(=O)c2ccccc2)n1
InChIKey: GHIMYBVOYLWWGQ-XDHOZWIPSA-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 383.43, ALogP 2.74, HBA 7, HBD 3, PSA 116.57, QED 0.45
Compound (SMILES): O=C(N/N=C/c1cccs1)c1cc(-c2cccc3ccccc23)[nH]n1
InChIKey: CVWSNUDLRYVHOE-UDWIEESQSA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 346.42, ALogP 4.06, HBA 4, HBD 2, PSA 70.14, QED 0.43
Compound (SMILES): CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCCCC4)cc3OC)nc2N1C1CCCC1
InChIKey: QPTZMGCTRHKKJD-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 506.65, ALogP 4.8, HBA 7, HBD 2, PSA 99.69, QED 0.56
Compound (SMILES): CC(C)(O)CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1
InChIKey: RKDYDLMULRETNX-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B
Measurement: Ki = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 316.79, ALogP 3.46, HBA 4, HBD 3, PSA 73.83, QED 0.64
Compound (SMILES): NC(=S)N/N=C\c1c2ccccc2cc2ccccc12
InChIKey: WYLUUWBULMMVJF-ZDLGFXPLSA-N
Target: Lysosomal alpha-glucosidase (SINGLE PROTEIN), Homo sapiens
UniProt: P10253
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 279.37, ALogP 3.16, HBA 2, HBD 2, PSA 50.41, QED 0.33
Compound (SMILES): CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CSc1ccccn1
InChIKey: NJXJPLNTYKBYKL-BXKXQWCYSA-N
Target: Lysosomal alpha-glucosidase (SINGLE PROTEIN), Homo sapiens
UniProt: P10253
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]
Measurement: Potency = 44668.4 nM (pChEMBL 4.349999904632568)
Descriptors: MW 353.49, ALogP 4.5, HBA 4, HBD 1, PSA 54.35, QED 0.45
Compound (SMILES): Cc1cccc(C)c1-n1c(C)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1C
InChIKey: PPRCLMXVEWFNQU-JJFYIABZSA-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 = 44668.4 nM (pChEMBL 4.349999904632568)
Descriptors: MW 363.42, ALogP 4.46, HBA 6, HBD 1, PSA 85.35, QED 0.41
Compound (SMILES): COc1ccc(/N=C/C2=C(O)c3ccccc3C2=O)cc1
InChIKey: GOKQVLOLPBQANJ-VCHYOVAHSA-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 = 707.9 nM (pChEMBL 6.150000095367432)
Descriptors: MW 279.3, ALogP 3.56, HBA 4, HBD 1, PSA 58.89, QED 0.87
Compound (SMILES): Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)n[nH]1
InChIKey: QLWUDWMYFSWGHK-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 > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 314.78, ALogP 3.52, HBA 5, HBD 3, PSA 78.52, QED 0.63
Compound (SMILES): O=C(NCC1CCCCC1)c1cc2c(-c3ccccc3)n[nH]c2s1
InChIKey: WYOMXSAYYXBPMN-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 339.46, ALogP 4.6, HBA 3, HBD 2, PSA 57.78, QED 0.73
Compound (SMILES): COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C
InChIKey: ZBYGBITZFKOQTA-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ALK
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 357.21, ALogP 3.89, HBA 4, HBD 1, PSA 55.73, QED 0.59
Compound (SMILES): O=C(Cc1ccccc1)Nc1cc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)ccc1Cl
InChIKey: JTRNNNVASYCTLO-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 = 100 nM (pChEMBL 7)
Descriptors: MW 622.15, ALogP 6.93, HBA 9, HBD 2, PSA 96.68, QED 0.19