lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccc(F)cc1
InChIKey: CFHZRYJOUAEEEK-CIAFOILYSA-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 = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 351.34, ALogP 3.43, HBA 4, HBD 2, PSA 83.7, QED 0.55
Compound (SMILES): CCn1sc2ccccc2c1=O
InChIKey: RTMDCQYUXWCPQG-UHFFFAOYSA-N
Target: Caspase-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P42574
Assay: Inhibition of recombinant human caspase-3 using Ac-LDEVD-AMC as substrate assessed as accumulation of 7-AMC incubated for 10 mins followed by substrate addition measured for 10 mins by fluorimetric analysis
Measurement: IC50 = 91240 nM (pChEMBL 4.039999961853027)
Descriptors: MW 179.24, ALogP 2.08, HBA 3, HBD 0, PSA 22, QED 0.66
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: WIRUYYYAAJOIKO-UHFFFAOYSA-N
Target: Megakaryocyte-associated tyrosine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P42679
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MATK
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 410.43, ALogP 3.62, HBA 7, HBD 2, PSA 88.23, QED 0.52
Compound (SMILES): O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12
InChIKey: WAKGEHXTOOFEAE-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 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 424.46, ALogP 2.09, HBA 6, HBD 3, PSA 103.01, QED 0.44
Compound (SMILES): C=CCn1/c(=N/C(=O)c2sc3ccccc3c2Cl)sc2cc(S(N)(=O)=O)ccc21
InChIKey: CCJHUABELYJYIC-QOCHGBHMSA-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 463.99, ALogP 4.15, HBA 6, HBD 1, PSA 94.52, QED 0.46
Compound (SMILES): Cc1cc(N/N=C/c2ccc(O)cc2O)c2ccccc2n1
InChIKey: GLIVMCXADCEBOE-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 293.33, ALogP 3.4, HBA 5, HBD 3, PSA 77.74, QED 0.51
Compound (SMILES): Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2C)cc1
InChIKey: QKJURYGWMNFODN-PXLXIMEGSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 364.47, ALogP 4.85, HBA 3, HBD 1, PSA 58.53, QED 0.66
Compound (SMILES): NC(=NO)c1ccccc1S(=O)(=O)Nc1ccc2c(c1)C(=NO)c1ccccc1-2
InChIKey: IWKRMYPMEYTIEG-UHFFFAOYSA-N
Target: Aurora kinase B (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GD4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK12
Measurement: Ki = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 408.44, ALogP 2.79, HBA 6, HBD 4, PSA 137.37, QED 0.18
Compound (SMILES): NC(COc1cncc(-c2ccc(F)cc2)c1)Cc1c[nH]c2ccccc12
InChIKey: VUDAXHCEPITOSW-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 361.42, ALogP 4.32, HBA 3, HBD 2, PSA 63.93, QED 0.54
Compound (SMILES): COc1ccc(NC(=O)c2cccc3c(-c4cccnc4)coc23)cc1
InChIKey: WUBLALSSEJQFKQ-UHFFFAOYSA-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 > 100000 nM (pChEMBL 4)
Descriptors: MW 344.37, ALogP 4.76, HBA 4, HBD 1, PSA 64.36, QED 0.58
Compound (SMILES): CN1C(=O)/C(=N\C2CCCCC2)c2c3ccccc3c(O)c3cccc1c23
InChIKey: HFXZEKOBEMLDQU-FLFQWRMESA-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 = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 358.44, ALogP 4.8, HBA 3, HBD 1, PSA 52.9, QED 0.64
Compound (SMILES): O=C(N/N=C/c1ccccc1Cl)c1nc(O)c2cc([N+](=O)[O-])ccc2n1
InChIKey: BVNWERPMTOPLND-QGMBQPNBSA-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 = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 371.74, ALogP 2.66, HBA 7, HBD 2, PSA 130.61, QED 0.41
Compound (SMILES): O=C(Cc1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)NCCc1c2[nH]c2ccccc12
InChIKey: YRVUIUXIVOZCGV-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 443.47, ALogP 4.27, HBA 3, HBD 2, PSA 57.36, QED 0.64
Compound (SMILES): CC(C)(CO)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12
InChIKey: VOAZYSSSBBQYMU-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 410.43, ALogP 3.15, HBA 7, HBD 1, PSA 81.13, QED 0.56
Compound (SMILES): C=C(C)CNC(=S)N/N=C/c1c(F)cccc1F
InChIKey: MMHJMTTUERLOFI-FRKPEAEDSA-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 = 20333.55 nM (pChEMBL 4.690000057220459)
Descriptors: MW 269.32, ALogP 2.34, HBA 2, HBD 2, PSA 36.42, QED 0.38
Compound (SMILES): COc1ccc(C=C2SC(=Nc3ccccc3)NC2=O)cc1OC
InChIKey: YCLBAPJEFDBZNN-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 340.4, ALogP 3.6, HBA 5, HBD 1, PSA 59.92, QED 0.86
Compound (SMILES): COc1cc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2N)ccc1O
InChIKey: KKMWHUNJHQIYHA-DNTJNYDQSA-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 370.43, ALogP 2.97, HBA 7, HBD 3, PSA 109.83, QED 0.48
Compound (SMILES): O=C(N/N=C/c1ccco1)c1cc(-c2ccncc2)nc2ccccc12
InChIKey: SDAJNLUTSCDSLS-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 = 44668.4 nM (pChEMBL 4.349999904632568)
Descriptors: MW 342.36, ALogP 3.65, HBA 5, HBD 1, PSA 80.38, QED 0.45
Compound (SMILES): COCCCn1c(=O)/c(=C\c2cccc(OC)c2OC)s/c1=C(/C#N)C(=O)Nc1ccc(C(=O)O)cc1
InChIKey: YAVIZXHLVWISDG-DLHBZIMTSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 523.57, ALogP 1.8, HBA 9, HBD 2, PSA 139.88, QED 0.38
Compound (SMILES): COc1cccc(OC)c1CNc1nc(NC2CCCCC2)nc2ccc(Cl)cc12
InChIKey: NECQZMQPXFYVOY-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET
Measurement: Ki = 7.943 nM (pChEMBL 8.100000381469727)
Descriptors: MW 426.95, ALogP 5.66, HBA 6, HBD 2, PSA 68.3, QED 0.51
Compound (SMILES): CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12
InChIKey: RTYJMUXLFRYRBU-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 534.66, ALogP 5.79, HBA 6, HBD 4, PSA 112.38, QED 0.19
Compound (SMILES): NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1ccccc1O
InChIKey: RTAHMWLLXYEJHP-JZJYNLBNSA-N
Target: Dual specificity protein phosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51452
Assay: PUBCHEM_BIOASSAY: Dose Response selectivity of inhibitors of STriatal-Enriched Phosphatase (STEP) in the dual-specificity protein-tyrosine phosphatase VHR Inhibition Assay. (Class of assay: confirmatory) 
Measurement: IC50 = 1930 nM (pChEMBL 5.710000038146973)
Descriptors: MW 323.31, ALogP 1.48, HBA 5, HBD 3, PSA 117.92, QED 0.63
Compound (SMILES): CN(C)c1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1
InChIKey: PMAPSVKQSNRJJO-WOJGMQOQSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 301.78, ALogP 3.17, HBA 3, HBD 1, PSA 44.7, QED 0.7
Compound (SMILES): CCC/C(=N\CCc1c(C)[nH]c2ccccc12)C1=C(O)CC(c2ccccc2)CC1=O
InChIKey: JTUXXVHIFQFGLN-ZZIIXHQDSA-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 = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 414.55, ALogP 6.22, HBA 3, HBD 2, PSA 65.45, QED 0.45
Compound (SMILES): COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCCCN(C)C)cc2NC3=O)ccc1O
InChIKey: VWACUNWBMWWMPJ-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKE
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 460.53, ALogP 4.06, HBA 6, HBD 4, PSA 102.93, QED 0.4
Compound (SMILES): NC(=S)N/N=C/c1ccccc1OC(=O)/C=C/c1ccccc1
InChIKey: MLFVRRPSMGUBNV-OFAWCBBISA-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 = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 325.39, ALogP 2.47, HBA 4, HBD 2, PSA 76.71, QED 0.22
Compound (SMILES): CC(=O)Nc1ccc(NC2=C/C(=N/S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
InChIKey: DQKXIWVDLDLOSL-PLRJNAJWSA-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 = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 451.53, ALogP 4.08, HBA 6, HBD 2, PSA 104.7, QED 0.61
Compound (SMILES): O=[N+]([O-])c1ccc(O)c(/C=N/Nc2ccccn2)c1
InChIKey: CUNAVCPCBQISRG-RIYZIHGNSA-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 = 1412.5 nM (pChEMBL 5.849999904632568)
Descriptors: MW 258.24, ALogP 2.14, HBA 6, HBD 2, PSA 100.65, QED 0.5
Compound (SMILES): Nc1ncnc(O)c1/N=C/c1ccccc1
InChIKey: SBRXDMBBONRINK-AWNIVKPZSA-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 214.23, ALogP 1.51, HBA 5, HBD 2, PSA 84.39, QED 0.74
Compound (SMILES): C/C(=N\NC(=S)Nc1ccc(C)cc1)c1cccc(N)c1
InChIKey: WDZBHAJXLZOEPE-XDHOZWIPSA-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 = 1122 nM (pChEMBL 5.949999809265137)
Descriptors: MW 298.42, ALogP 3.29, HBA 3, HBD 3, PSA 62.44, QED 0.35
Compound (SMILES): C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccccc1O
InChIKey: QRBXCLWAANQEMG-SRZZPIQSSA-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 = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 404.39, ALogP 1.76, HBA 10, HBD 3, PSA 157.34, QED 0.34
Compound (SMILES): C/C(=N/N=C/c1ccc(N(C)C)cc1)c1ccccc1
InChIKey: TZAMHKUTURYHSL-QBSYBSNLSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 265.36, ALogP 3.6, HBA 3, HBD 0, PSA 27.96, QED 0.61
Compound (SMILES): CC(C)(C)c1ccc(/C=N/NC(=S)NC2CCCCC2)cc1
InChIKey: QGYLEGURKBPMGB-CPNJWEJPSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 317.5, ALogP 4.11, HBA 2, HBD 2, PSA 36.42, QED 0.5
Compound (SMILES): O=P(/C(=N/O)N1CCOCC1)(N1CCOCC1)N1CCOCC1
InChIKey: XGDDEGGTVMIJMT-BUHFOSPRSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 348.34, ALogP -0.08, HBA 6, HBD 1, PSA 87.07, QED 0.25
Compound (SMILES): CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1c(O)ccc2ccccc12
InChIKey: WPAZZXDMRSUBDN-RGVLZGJSSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 368.46, ALogP 3.4, HBA 7, HBD 1, PSA 80.37, QED 0.57
Compound (SMILES): CCOC(=O)c1cn(-c2ccc(O)cc2C)c2cc(-c3ccncc3)ccc2c1=O
InChIKey: WNMXOXGXHRHBLO-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 400.43, ALogP 4.24, HBA 6, HBD 1, PSA 81.42, QED 0.52
Compound (SMILES): COc1cccc(/C=N/NC(=O)CSc2ccccc2C)c1O
InChIKey: SWKRNLPZWKDQIV-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 330.41, ALogP 2.95, HBA 5, HBD 2, PSA 70.92, QED 0.49
Compound (SMILES): Nc1ncnc2c1c(I)nn2C1CCC(O)CC1
InChIKey: RPGBQFNDFPEOON-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET
Measurement: Ki = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 359.17, ALogP 1.49, HBA 6, HBD 2, PSA 89.85, QED 0.75
Compound (SMILES): Nc1cc(S(=O)(=O)NC(=O)c2ccc(-c3ccc(F)cc3)cc2)ccc1NC1CCCCC1
InChIKey: NWYXEDPSORNUPL-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 467.57, ALogP 4.94, HBA 5, HBD 3, PSA 101.29, QED 0.45
Compound (SMILES): COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OC(=O)c1ccc(C)cc1
InChIKey: INGRJUJUHNUPNM-HZHRSRAPSA-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 424.48, ALogP 3.54, HBA 6, HBD 1, PSA 94.06, QED 0.27
Compound (SMILES): CNC(=O)CO/N=C/c1ccc(N(C)C)cc1
InChIKey: JULFFEWKRFDSHX-RIYZIHGNSA-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 235.29, ALogP 0.85, HBA 4, HBD 1, PSA 53.93, QED 0.61
Compound (SMILES): CCCCOc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: GDYZFFBMSBDTAA-UHFFFAOYSA-N
Target: NT-3 growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16288
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK3
Measurement: Ki = 19.95 nM (pChEMBL 7.699999809265137)
Descriptors: MW 267.33, ALogP 3.8, HBA 3, HBD 1, PSA 50.8, QED 0.72
Compound (SMILES): CO/N=C/CC(=O)c1cnc(-c2ccc(Cl)cc2)s1
InChIKey: NVVARISGDYLRPD-FRKPEAEDSA-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 294.76, ALogP 3.67, HBA 5, HBD 0, PSA 51.55, QED 0.48
Compound (SMILES): O=C(O)c1c2c(nc3ccccc13)C(=C1CCCC1)CC2
InChIKey: UEIRKXUBXCSHJE-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 279.34, ALogP 4.21, HBA 2, HBD 1, PSA 50.19, QED 0.85
Compound (SMILES): O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccn1
InChIKey: ITXZMJZIGJEXAF-CPNJWEJPSA-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 = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 310.36, ALogP 1.68, HBA 5, HBD 1, PSA 66.82, QED 0.69
Compound (SMILES): Cc1nn(C)c2sc(C(N)=O)c(N)c12
InChIKey: OULGHWYAFYSZGK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4B4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK3
Measurement: Ki > 79432.82 nM (pChEMBL 4.099999904632568)
Descriptors: MW 210.26, ALogP 0.62, HBA 5, HBD 2, PSA 86.93, QED 0.72
Compound (SMILES): n1nc2c([nH]1)c1nn[nH]c1c1nn[nH]c21
InChIKey: ZDPWWLUQROVMON-UHFFFAOYSA-N
Target: Mannan-binding lectin serine protease 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00187
Assay: Enzymatic Assay for MASP-2: The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjusted such that the assay was linear with respect to time, enzyme and substrate concentrations. Under these optimized assays conditions, IC50 values were equivalent to Ki values, except in a few cases of tight binding inhibitors. Cases of tight binding or possible slow binding inhibitors were handled by the methods described in Copeland R. A. (2013) Evaluation of Enzyme Inhibitors in Drug Discovery. 2nd Ed., John Wiley and Sons, Inc., Chapters 5-7.
Measurement: Ki = 17500 nM (pChEMBL 4.760000228881836)
Descriptors: MW 201.15, ALogP -0.5, HBA 6, HBD 3, PSA 124.71, QED 0.35
Compound (SMILES): COc1cc(C(=O)NCC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc(OC)c1OC
InChIKey: ZLLSOADPCQSAIY-BHGWPJFGSA-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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 424.46, ALogP 2.38, HBA 6, HBD 3, PSA 114.04, QED 0.38
Compound (SMILES): CN1/C(=C\C=N\c2ccccc2)C(C)(C)c2ccccc21
InChIKey: CUWPYPZFLVWSCO-ONPRKJMBSA-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 = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 276.38, ALogP 4.7, HBA 2, HBD 0, PSA 15.6, QED 0.73
Compound (SMILES): Cc1ccc2c(nc3s/c(=C/c4cccs4)c(=O)n32)c1C
InChIKey: ATANZVRCAPIFNR-MDWZMJQESA-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 = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 312.42, ALogP 3.14, HBA 5, HBD 0, PSA 34.37, QED 0.54
Compound (SMILES): COC(=O)c1coc(-c2ccc(-c3ccccc3)cc2)n1
InChIKey: UQTDQKWBBIONFV-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 279.3, ALogP 3.8, HBA 4, HBD 0, PSA 52.33, QED 0.68
Compound (SMILES): CCOC(=O)C1=c2sc(=Cc3cccs3)c(=O)n2C(N)=C(C#N)C1c1cccs1
InChIKey: AQQRLFFHPCCEGF-UHFFFAOYSA-N
Target: Phosphorylase b kinase gamma catalytic chain, liver/testis isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P15735
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PHKG2
Measurement: Ki = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 441.56, ALogP 2.02, HBA 9, HBD 1, PSA 98.11, QED 0.62
Compound (SMILES): CCOC(=O)c1cccc2c1-c1ccccc1/C2=N/O
InChIKey: YPCNWPJSHMBZDB-ICFOKQHNSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-Jun N-Terminal Kinase 3 (JNK3). (Class of assay: confirmatory) [Related pubchem assays: 746 ]
Measurement: IC50 = 11480 nM (pChEMBL 4.940000057220459)
Descriptors: MW 267.28, ALogP 3.07, HBA 4, HBD 1, PSA 58.89, QED 0.44
Compound (SMILES): Cn1ccs/c1=N\C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1
InChIKey: QDGQQSBFPBSHJZ-SEYXRHQNSA-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 = 2511.9 nM (pChEMBL 5.599999904632568)
Descriptors: MW 341.37, ALogP 1.14, HBA 7, HBD 0, PSA 111.64, QED 0.61
Compound (SMILES): COc1ccc(/C(=N/Nc2ncnc3ccccc23)C(=O)O)cc1
InChIKey: KZEPPMVJOZODEK-HKWRFOASSA-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 = 501.2 nM (pChEMBL 6.300000190734863)
Descriptors: MW 322.32, ALogP 2.54, HBA 6, HBD 2, PSA 96.7, QED 0.55
Compound (SMILES): Clc1cc2nn[nH]c2cc1Cl
InChIKey: HHEBHJLYNLALHM-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 188.02, ALogP 2.26, HBA 2, HBD 1, PSA 41.57, QED 0.69
Compound (SMILES): O=C(NC(CO)Cc1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1
InChIKey: DPPIQOOVRLCHQC-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 366.85, ALogP 3.74, HBA 3, HBD 2, PSA 62.22, QED 0.7
Compound (SMILES): O=C(CNc1ccc2ccccc2c1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1
InChIKey: YANLGYGLBKSIBN-KUZNRIHWSA-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 374.4, ALogP 3.98, HBA 5, HBD 2, PSA 96.63, QED 0.37
Compound (SMILES): CC(C)NC(=S)N/N=C/c1ccc(C(C)(C)C)cc1
InChIKey: MALXCWOUNXFCNR-MHWRWJLKSA-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 = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 277.44, ALogP 3.19, HBA 2, HBD 2, PSA 36.42, QED 0.51
Compound (SMILES): O=C(Nc1cnc2[nH]cc(-c3ccccc3)c2c1)c1c(F)cccc1F
InChIKey: UUWNXFJBBYAMDT-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 349.34, ALogP 4.76, HBA 2, HBD 2, PSA 57.78, QED 0.56
Compound (SMILES): CNCC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: BGYVWFZMYBWCNY-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 413.91, ALogP 2.73, HBA 6, HBD 4, PSA 107.62, QED 0.46
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(CC)c3cc[nH]c3n2)cc1
InChIKey: VRIFJAKXSBXYFZ-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 = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 323.4, ALogP 3.4, HBA 4, HBD 3, PSA 82.7, QED 0.65
Compound (SMILES): CCNCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNCC)cc1C2=O
InChIKey: OWIKGBYLJUIGMT-UHFFFAOYSA-N
Target: Telomerase reverse transcriptase (SINGLE PROTEIN), Homo sapiens
UniProt: O14746
Assay: Inhibition of telomerase (unknown origin) by TRAP assay
Measurement: IC50 = 100 nM (pChEMBL 7)
Descriptors: MW 408.46, ALogP 1.56, HBA 6, HBD 4, PSA 116.4, QED 0.45
Compound (SMILES): COC(=O)c1coc(-c2ccc(F)cc2)n1
InChIKey: DBAOBCFFEKYUQI-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 221.19, ALogP 2.27, HBA 4, HBD 0, PSA 52.33, QED 0.73
Compound (SMILES): CC1=Nc2nnnn2C(c2cccnc2)/C1=C(\O)OC1CCCCC1
InChIKey: XBWPNURYMCZHAK-JQIJEIRASA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 340.39, ALogP 2.88, HBA 8, HBD 1, PSA 98.31, QED 0.86
Compound (SMILES): CN(C)c1cc2sncc2cc1NC(=O)C(=O)O
InChIKey: PNAPQQCRNHMIER-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 265.29, ALogP 1.39, HBA 5, HBD 2, PSA 82.53, QED 0.8
Compound (SMILES): NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCNC4)cc3F)nc12
InChIKey: OETCTXGISYWYMV-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 338.39, ALogP 2.93, HBA 3, HBD 3, PSA 83.8, QED 0.69
Compound (SMILES): Cc1cc(-c2ncnc3[nH]ccc23)ccc1F
InChIKey: LZXPYCSHIFEZMR-UHFFFAOYSA-N
Target: NT-3 growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16288
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK3
Measurement: Ki = 100000 nM (pChEMBL 4)
Descriptors: MW 227.24, ALogP 3.07, HBA 2, HBD 1, PSA 41.57, QED 0.69
Compound (SMILES): COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nc3sccn23)n1
InChIKey: XMGFTZYNTYNOOJ-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET
Measurement: Ki = 31.62 nM (pChEMBL 7.5)
Descriptors: MW 611.68, ALogP 6.86, HBA 9, HBD 2, PSA 96.68, QED 0.18
Compound (SMILES): CC(C)(C)c1ccc(O)c(/N=C/c2c(O)ccc3ccccc23)c1
InChIKey: RXUUSHQNMCOPJZ-LPYMAVHISA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 319.4, ALogP 5.3, HBA 3, HBD 2, PSA 52.82, QED 0.63
Compound (SMILES): Cc1nc2ccc(Cl)cc2nc(C)/c1=N\O
InChIKey: AYFILULTYUPOAQ-PTNGSMBKSA-N
Target: 3-hydroxyacyl-CoA dehydrogenase type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99714
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) 
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 235.67, ALogP 2.19, HBA 4, HBD 1, PSA 58.37, QED 0.56
Compound (SMILES): C=CCc1cccc(/C=N/NC(=O)C(C)Nc2cccc(C)c2)c1O
InChIKey: UAQFQNOLRDOQNB-FYJGNVAPSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 337.42, ALogP 3.38, HBA 4, HBD 3, PSA 73.72, QED 0.41
Compound (SMILES): C=Cc1cnn(Cc2cccc3ccccc23)c(=O)c1C(C#N)c1ccccc1
InChIKey: JGVXZDRCWARJJC-UHFFFAOYSA-N
Target: Neuropeptides B/W receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48145
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose response cell-based screening assay to identify antagonists of the G-protein coupled receptor 7 (GPR7) Set 6. (Class of assay: confirmatory) 
Measurement: IC50  2550 nM (pChEMBL 5.5929999351501465)
Descriptors: MW 377.45, ALogP 4.74, HBA 4, HBD 0, PSA 58.68, QED 0.5
Compound (SMILES): O=C(O)C1CC(c2cccc(Br)c2)=NO1
InChIKey: PPLKIMIGZSEKTE-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 - set 2. (Class of assay: confirmatory) 
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 270.08, ALogP 2.03, HBA 3, HBD 1, PSA 58.89, QED 0.89
Compound (SMILES): C/C(=N/NC(=S)Nc1ccccc1)c1ccc2c(c1)OCO2
InChIKey: VWZKGYZGFLEAQU-WQRHYEAKSA-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 313.38, ALogP 3.13, HBA 4, HBD 2, PSA 54.88, QED 0.52
Compound (SMILES): CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1
InChIKey: QGGMQELUNZEODX-XXUJMTPBSA-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 = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 387.48, ALogP 3.5, HBA 5, HBD 2, PSA 89.02, QED 0.58
Compound (SMILES): CCn1cc(C(c2ccc(Cl)cc2)n2ccnc2)c2cc(Br)ccc21
InChIKey: ZUWZMYGOOTZWBS-UHFFFAOYSA-N
Target: Aromatase (SINGLE PROTEIN), Homo sapiens
UniProt: P11511
Assay: Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins followed by substrate addition and measured after 16 hrs by UV/vis-spectrophotometry
Measurement: IC50 = 118.03 nM (pChEMBL 6.929999828338623)
Descriptors: MW 414.73, ALogP 5.91, HBA 3, HBD 0, PSA 22.75, QED 0.41
Compound (SMILES): CCOC(=O)CCCc1ccc(/C(C)=N/NC(=S)NC)cc1
InChIKey: JDMKKOYOYDCFQV-LDADJPATSA-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 = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 321.45, ALogP 2.39, HBA 4, HBD 2, PSA 62.72, QED 0.35
Compound (SMILES): O=[N+]([O-])c1cc(/C=N/c2ccc3ccccc3c2)ccc1Br
InChIKey: RJDUYHJBVARSFX-YBFXNURJSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 355.19, ALogP 5.26, HBA 3, HBD 0, PSA 55.5, QED 0.37
Compound (SMILES): Nc1ncc2cccc(-c3ccccc3)n12
InChIKey: NQWXPDWPIHDISD-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 = 50118.72 nM (pChEMBL 4.300000190734863)
Descriptors: MW 209.25, ALogP 2.58, HBA 3, HBD 1, PSA 43.32, QED 0.67
Compound (SMILES): Cc1nc(SCc2cc(=O)n3cc(Br)ccc3n2)c(C#N)c(C)c1C
InChIKey: BTDAHCYFTROTOW-UHFFFAOYSA-N
Target: Mitochondrial import inner membrane translocase subunit TIM23 (SINGLE PROTEIN), Saccharomyces cerevisiae S288c
UniProt: P32897
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via a luminescent assay. (Class of assay: confirmatory) 
Measurement: IC50 > 99000 nM (pChEMBL 4.004000186920166)
Descriptors: MW 415.32, ALogP 3.94, HBA 6, HBD 0, PSA 71.05, QED 0.61
Compound (SMILES): O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21
InChIKey: RJZDECGDCKOHBV-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 = 39.81 nM (pChEMBL 7.400000095367432)
Descriptors: MW 315.38, ALogP 3.53, HBA 2, HBD 2, PSA 57.78, QED 0.78
Compound (SMILES): CCOc1ccc(/C=N/Nc2ccccn2)cc1OC
InChIKey: SNJYQXRZBREKRP-GZTJUZNOSA-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 271.32, ALogP 2.93, HBA 5, HBD 1, PSA 55.74, QED 0.65
Compound (SMILES): COc1cc(/C=N/NC(=O)c2ccncc2)ccc1Oc1ccc([N+](=O)[O-])cn1
InChIKey: VUBVBFKIRGRGAP-SSDVNMTOSA-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 = 4.5 nM (pChEMBL 8.350000381469727)
Descriptors: MW 393.36, ALogP 2.95, HBA 8, HBD 1, PSA 128.84, QED 0.37
Compound (SMILES): Cc1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1
InChIKey: RGFADXWLNILIEQ-HZHRSRAPSA-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 344.41, ALogP 4.19, HBA 3, HBD 1, PSA 50.69, QED 0.54
Compound (SMILES): C/C(=N\Nc1cc(C)nc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1
InChIKey: YLANCISXYJPIDN-HYARGMPZSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 100 nM (pChEMBL 7)
Descriptors: MW 347.38, ALogP 4.2, HBA 6, HBD 1, PSA 93.31, QED 0.42
Compound (SMILES): CNC(=S)N/N=C(\C)c1cccc(C(F)(F)F)c1
InChIKey: VYCVYQBPBQHUNX-FRKPEAEDSA-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 = 1584.9 nM (pChEMBL 5.800000190734863)
Descriptors: MW 275.3, ALogP 2.52, HBA 2, HBD 2, PSA 36.42, QED 0.49
Compound (SMILES): CC(C)(C)c1ccc(O)c(/C=N\O)c1
InChIKey: JPVAJIHITBSSAM-GHXNOFRVSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 193.25, ALogP 2.5, HBA 3, HBD 2, PSA 52.82, QED 0.41
Compound (SMILES): CN(C)c1ccc(C(N)=O)cn1
InChIKey: HLUIYGVTAGXCRZ-UHFFFAOYSA-N
Target: Nicotinamide N-methyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: P40261
Assay: Inhibition of human NNMT at 30 uM preincubated for 30 mins followed by nicotinamide substrate and SAM addition measured after 60 mins by fluorescence assay
Measurement: IC50 > 30000 nM (pChEMBL 4.5229997634887695)
Descriptors: MW 165.2, ALogP 0.25, HBA 3, HBD 1, PSA 59.22, QED 0.68
Compound (SMILES): Cc1ccc(-c2cc(-c3cc(Br)ccc3O)[nH]c(=O)c2C#N)s1
InChIKey: JRLSUZIPUYDUKX-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKE
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 387.26, ALogP 4.42, HBA 4, HBD 2, PSA 76.88, QED 0.68
Compound (SMILES): CCCCn1/c(=N/C(=O)c2cccnc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21
InChIKey: OWYVVTYSAUCMIK-NHFJDJAPSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 412.45, ALogP 2.77, HBA 7, HBD 0, PSA 105.41, QED 0.48
Compound (SMILES): COc1ccccc1CNC(=N)Nc1nccc(-c2cccs2)n1
InChIKey: RSFBNWZRZYKDMI-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IKBKE
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 339.42, ALogP 3.35, HBA 5, HBD 3, PSA 82.92, QED 0.49
Compound (SMILES): COC(=O)[C@@H]1COC(c2ccc(F)cc2F)=N1
InChIKey: CIVCIHKWGQDMKU-VIFPVBQESA-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 241.19, ALogP 1.28, HBA 4, HBD 0, PSA 47.89, QED 0.73
Compound (SMILES): O=C(N/N=C/c1cc(Br)c(Br)o1)c1cc2ccccc2o1
InChIKey: NTDKGOORPVNMQP-REZTVBANSA-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 = 50118.7 nM (pChEMBL 4.300000190734863)
Descriptors: MW 412.04, ALogP 4.31, HBA 4, HBD 1, PSA 67.74, QED 0.52
Compound (SMILES): Cn1cccc1/C=N/NC(=O)c1sc2ccccc2c1Cl
InChIKey: NTDQXUAJFQMTIU-RQZCQDPDSA-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 = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 317.8, ALogP 3.66, HBA 4, HBD 1, PSA 46.39, QED 0.58
Compound (SMILES): Cc1sc2ncnc(N3CCC(C(=O)N(C)CC(=O)Nc4cccc(F)c4)CC3)c2c1C
InChIKey: PFCPSEHBTWOBOZ-UHFFFAOYSA-N
Target: Nuclear receptor coactivator 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6Q9
Assay: PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3). (Class of assay: confirmatory) 
Measurement: IC50 = 8100 nM (pChEMBL 5.090000152587891)
Descriptors: MW 455.56, ALogP 3.76, HBA 6, HBD 1, PSA 78.43, QED 0.63
Compound (SMILES): CS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1
InChIKey: ZEPZLYBZRMHVQJ-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 435.47, ALogP 2.15, HBA 5, HBD 1, PSA 78.95, QED 0.78
Compound (SMILES): COc1ccc2[nH]cc(C=C3C(=O)Nc4ccccc43)c2c1
InChIKey: OEJQBEJOXJYPRT-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 290.32, ALogP 3.67, HBA 2, HBD 2, PSA 54.12, QED 0.71
Compound (SMILES): N#CC(c1ccc(F)cc1)c1c(Cl)cnn(Cc2cccc3ccccc23)c1=O
InChIKey: OYKPXRZIRYVKNT-UHFFFAOYSA-N
Target: Neuropeptides B/W receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48145
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose response cell-based screening assay to identify antagonists of the G-protein coupled receptor 7 (GPR7) Set 6. (Class of assay: confirmatory) 
Measurement: IC50  154 nM (pChEMBL 6.811999797821045)
Descriptors: MW 403.84, ALogP 4.89, HBA 4, HBD 0, PSA 58.68, QED 0.49
Compound (SMILES): C/C(=C\C(=O)c1ccc(Br)cc1)NCc1ccccc1
InChIKey: FGBXTBGXTNACMU-ACCUITESSA-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 = 44668.4 nM (pChEMBL 4.349999904632568)
Descriptors: MW 330.23, ALogP 4.33, HBA 2, HBD 1, PSA 29.1, QED 0.65
Compound (SMILES): CC(=O)Nc1cccc(/C(C)=N/Nc2nc3ccccc3s2)c1
InChIKey: KZUDUGROAQSHKR-RGVLZGJSSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 324.41, ALogP 4.09, HBA 5, HBD 2, PSA 66.38, QED 0.56
Compound (SMILES): C/C(=N\NC(=O)c1csc2ccccc12)c1ccc(O)cc1
InChIKey: DBJQITZPQAVHJF-WOJGMQOQSA-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 = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 310.38, ALogP 3.76, HBA 4, HBD 2, PSA 61.69, QED 0.57
Compound (SMILES): O=C(O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(Cc4cccnc4)C3=O)o2)c1
InChIKey: ZLYWEIVZLOABSE-CSBWODFHSA-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 = 50118.7 nM (pChEMBL 4.300000190734863)
Descriptors: MW 481.53, ALogP 5.84, HBA 6, HBD 1, PSA 96, QED 0.35
Compound (SMILES): COc1ccc(C2=NNc3cccc4c(OC)ccc2c34)cc1OC
InChIKey: KHVGJDSHXSUFAB-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 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 334.38, ALogP 4.04, HBA 5, HBD 1, PSA 52.08, QED 0.78
Compound (SMILES): O=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCCC(O)C1
InChIKey: GNZPMJDEUIVORU-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 312.33, ALogP 1.81, HBA 5, HBD 2, PSA 95.25, QED 0.75
Compound (SMILES): CCOc1ccccc1OCC(=O)N/N=C(\C)Cc1ccc(OC)cc1
InChIKey: MEJOGMIBMSEBBK-RCCKNPSSSA-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 = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 356.42, ALogP 3.21, HBA 5, HBD 1, PSA 69.15, QED 0.55