lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(O)C1CCCCC1c1c2ccc(=O)cc-2oc2cc(O)ccc12
InChIKey: HXOZFLYYEKBTMP-UHFFFAOYSA-N
Target: M-phase inducer phosphatase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30304
Assay: Inhibition of CDC25A (unknown origin)
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 338.36, ALogP 3.96, HBA 4, HBD 2, PSA 87.74, QED 0.69
Compound (SMILES): Cn1c(/C=N/NC(=O)c2ccccc2)nc2ccccc21
InChIKey: OHPKQUIUYBYMAZ-GZTJUZNOSA-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 = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 278.31, ALogP 2.34, HBA 4, HBD 1, PSA 59.28, QED 0.59
Compound (SMILES): CCCOc1ccc(NC(=O)C2CC(=O)N=C(N/N=C(C)/C=C/c3ccc(N(C)C)cc3)S2)cc1
InChIKey: IFHKKRVUCWHOFP-HGHDFTHHSA-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 493.63, ALogP 4.55, HBA 7, HBD 2, PSA 95.39, QED 0.39
Compound (SMILES): COc1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1O
InChIKey: LLCTYHPKUHJJFN-UUYOSTAYSA-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 360.37, ALogP 4.06, HBA 5, HBD 2, PSA 84.06, QED 0.42
Compound (SMILES): CCOC(=O)c1c(C)[nH]c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c1C
InChIKey: XDDCWRDHDZXOCH-SSZFMOIBSA-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 408.41, ALogP 3.33, HBA 7, HBD 3, PSA 141.09, QED 0.32
Compound (SMILES): COC(=O)c1coc(-c2cc3ccccc3s2)n1
InChIKey: UBPRLCLNVABCKW-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 259.29, ALogP 3.34, HBA 5, HBD 0, PSA 52.33, QED 0.66
Compound (SMILES): CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(CCC3CCCCC3)CC2)cc1[N+](=O)[O-].O=C(O)C(F)(F)F
InChIKey: XOZSNRAMJJLMMU-UHFFFAOYSA-N
Target: Protein disulfide-isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P07237
Assay: PUBCHEM_BIOASSAY: Turbidimetric Biochemical Primary HTS to identify inhibitors of Protein Disulfide Isomerase Measured in Biochemical System Using Plate Reader - 2137-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) 
Measurement: AC50 < 9 nM (pChEMBL 8.045999526977539)
Descriptors: MW 481.57, ALogP 2.27, HBA 8, HBD 0, PSA 127.13, QED 0.31
Compound (SMILES): COc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1cccs1
InChIKey: PTLJVBDFPNTYKO-VOTSOKGWSA-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 = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 304.33, ALogP 3.47, HBA 6, HBD 1, PSA 81.47, QED 0.38
Compound (SMILES): CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1
InChIKey: KKNZPYUITYVVIJ-VULFUBBASA-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 = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 499.36, ALogP 5.09, HBA 6, HBD 1, PSA 90.13, QED 0.21
Compound (SMILES): O=C1/C(=N\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)=C(O)c2ccccc21
InChIKey: UUXBKHWWHUAOGR-JXAWBTAJSA-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 = 1258.9 nM (pChEMBL 5.900000095367432)
Descriptors: MW 392.78, ALogP 3.09, HBA 6, HBD 1, PSA 126.94, QED 0.63
Compound (SMILES): O=C(O)c1c(Cl)ccc2cc(-n3cccc3)cnc12
InChIKey: PFWHLEAMXWPHOO-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 272.69, ALogP 3.38, HBA 3, HBD 1, PSA 55.12, QED 0.78
Compound (SMILES): Cc1cc(Nc2ncc(F)c(NC3C4C=CC(C4)C3C(N)=O)n2)ccc1N1CCN(C)CC1
InChIKey: KSOVGRCOLZZTPF-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 = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 451.55, ALogP 2.51, HBA 7, HBD 3, PSA 99.41, QED 0.58
Compound (SMILES): Cc1n[nH]c2ccc(-c3cncc(OCCN)c3)cc12
InChIKey: ZYTFPHRVOZXPGZ-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 268.32, ALogP 2.27, HBA 4, HBD 2, PSA 76.82, QED 0.76
Compound (SMILES): C=CCNC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2)o1
InChIKey: GTHWUVQAUAWLDV-VCHYOVAHSA-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 = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 364.27, ALogP 3.69, HBA 3, HBD 2, PSA 49.56, QED 0.37
Compound (SMILES): O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCOCC1
InChIKey: VCKBQXZZHJAFAK-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95136
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 2 (S1P2) agonist assay. (Class of assay: confirmatory) 
Measurement: EC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 318.42, ALogP 3.51, HBA 4, HBD 0, PSA 55.57, QED 0.85
Compound (SMILES): Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cn1
InChIKey: TWOILHVVKFJWAD-YVNNLAQVSA-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 = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 374.23, ALogP 4.72, HBA 4, HBD 1, PSA 67.49, QED 0.53
Compound (SMILES): CCN(CC)CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(OC)cc1
InChIKey: GRWCSHLMMBJFNK-DBSKITMISA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 489, ALogP 5.2, HBA 7, HBD 0, PSA 88.28, QED 0.27
Compound (SMILES): COC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc2c1CCN(C(=O)OC)C2
InChIKey: SPOXYRLYOYMJDV-UHFFFAOYSA-N
Target: Melanocortin receptor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P32245
Assay: PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay for biased ligands (antagonists) of the melanocortin 4 receptor (MC4R). (Class of assay: confirmatory) 
Measurement: IC50 > 64577 nM (pChEMBL 4.190000057220459)
Descriptors: MW 432.45, ALogP 2.44, HBA 8, HBD 1, PSA 103.4, QED 0.74
Compound (SMILES): CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cccc(O)c2O)c1
InChIKey: CWKYUMNBGJJWCO-XDHOZWIPSA-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 = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 391.45, ALogP 1.89, HBA 6, HBD 3, PSA 119.3, QED 0.38
Compound (SMILES): N#Cc1ccc(-c2ccncc2)cc1NCc1ccccc1
InChIKey: GWXPHWSUMLUDPO-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 285.35, ALogP 4.23, HBA 3, HBD 1, PSA 48.71, QED 0.78
Compound (SMILES): CCN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1
InChIKey: ASOBSKNWRJNQBK-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 448.96, ALogP 4.64, HBA 7, HBD 3, PSA 85, QED 0.4
Compound (SMILES): c1cc(NC2CCCCC2)nc(Nc2ccc3cn[nH]c3c2)n1
InChIKey: REGDEOBNDJFQGX-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 308.39, ALogP 3.84, HBA 5, HBD 3, PSA 78.52, QED 0.68
Compound (SMILES): O=S(=O)(Nc1ccc2ccccc2c1O)c1ccc(F)cc1
InChIKey: LQAZRKSHDVHFCS-UHFFFAOYSA-N
Target: LIM domain kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53667
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LIMK1
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 317.34, ALogP 3.49, HBA 3, HBD 2, PSA 66.4, QED 0.73
Compound (SMILES): O=[N+]([O-])c1c(O)oc2ccccc2/c1=N\c1ccc(O)cc1
InChIKey: CDVDIGKZZQTXMT-DTQAZKPQSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 298.25, ALogP 2.98, HBA 6, HBD 2, PSA 109.1, QED 0.56
Compound (SMILES): O=C(N/N=C\c1cc(Br)cs1)c1ccncc1
InChIKey: FCWGTGZMXDQWGJ-NSIKDUERSA-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 = 2818.4 nM (pChEMBL 5.550000190734863)
Descriptors: MW 310.18, ALogP 2.67, HBA 4, HBD 1, PSA 54.35, QED 0.7
Compound (SMILES): COc1ccc(Oc2c(C(=O)O)cnn(Cc3cccc4ccccc34)c2=O)cc1
InChIKey: ONHULTIAJVWBDR-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7): cell-based dose response assay to identify antagonists of the melanin-concentrating hormone receptor 1 (MCHR1) Set 5. (Class of assay: confirmatory) 
Measurement: IC50 > 20000 nM (pChEMBL 4.698999881744385)
Descriptors: MW 402.41, ALogP 3.94, HBA 6, HBD 1, PSA 90.65, QED 0.53
Compound (SMILES): COC(=O)N/N=C\c1ccccc1OC/C=C/c1ccccc1
InChIKey: NHGORSJLZCSVBD-VAVYRGOBSA-N
Target: Beta-lactamase (SINGLE PROTEIN), Escherichia coli K-12
UniProt: P00811
Assay: PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]
Measurement: Potency = 251.2 nM (pChEMBL 6.599999904632568)
Descriptors: MW 310.35, ALogP 3.47, HBA 4, HBD 1, PSA 59.92, QED 0.66
Compound (SMILES): NC(=O)c1cccc2c1Nc1nnc(Cl)cc1C(=O)N2
InChIKey: RXVOXSGTUROJOL-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13131
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKAA1
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 289.68, ALogP 1.54, HBA 5, HBD 3, PSA 110, QED 0.74
Compound (SMILES): Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(Br)cc1
InChIKey: POODDBZLVKBOKF-CAOOACKPSA-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 351.27, ALogP 3.02, HBA 3, HBD 2, PSA 55.34, QED 0.51
Compound (SMILES): Oc1cccc(/C=N/Nc2ccc(Cl)nn2)c1O
InChIKey: SYVPIQIITOFGEJ-AWNIVKPZSA-N
Target: Histone-lysine N-methyltransferase 2A (SINGLE PROTEIN), Homo sapiens
UniProt: Q03164
Assay: PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 264.67, ALogP 1.99, HBA 6, HBD 3, PSA 90.63, QED 0.45
Compound (SMILES): COc1cccc(/C=N/n2c(S)nnc2C2CCCCC2)c1O
InChIKey: SVWDVWLJYCTONR-LICLKQGHSA-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 332.43, ALogP 3.21, HBA 7, HBD 2, PSA 72.53, QED 0.67
Compound (SMILES): COc1ccc(OC)c(/C=N/NC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)c1
InChIKey: GPENIIFDIDZPRT-SRZZPIQSSA-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 383.4, ALogP 2.97, HBA 6, HBD 2, PSA 94.17, QED 0.48
Compound (SMILES): Cc1c(F)c(N2CCC(N)C2)nc2[nH]cc(C(=O)O)c(=O)c12
InChIKey: DKDZXPOLPBFKGD-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 306.3, ALogP 0.61, HBA 5, HBD 3, PSA 112.31, QED 0.75
Compound (SMILES): C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccnc1
InChIKey: NUACVNBPNYNYER-OQKWZONESA-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 = 23755.8 nM (pChEMBL 4.619999885559082)
Descriptors: MW 415.52, ALogP 1.24, HBA 6, HBD 1, PSA 94.97, QED 0.57
Compound (SMILES): COC(=O)N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1
InChIKey: JXBMFYPRXAHSOX-FMQZQXMHSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 347.59, ALogP 4.6, HBA 4, HBD 1, PSA 63.83, QED 0.5
Compound (SMILES): CN(C)CC(C)(C)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3occn23)n1
InChIKey: CDZPSYGUMJXDLL-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 408.48, ALogP 4.19, HBA 7, HBD 1, PSA 71.49, QED 0.49
Compound (SMILES): Nc1nnc2cncc(Cl)n12
InChIKey: BGLCATULDGAIDO-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 = 19952.62 nM (pChEMBL 4.699999809265137)
Descriptors: MW 169.58, ALogP 0.36, HBA 5, HBD 1, PSA 69.1, QED 0.62
Compound (SMILES): Cc1cccc(C)c1N1C(=O)CC2(CC(c3ccc(F)cc3)=NO2)C1=O
InChIKey: SOKWCDYZTVIGJY-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 352.37, ALogP 3.27, HBA 4, HBD 0, PSA 58.97, QED 0.78
Compound (SMILES): O=c1[nH]c2sccc2c2nc(-c3ccncc3)nn12
InChIKey: RYSOFKOEVPNDDI-UHFFFAOYSA-N
Target: NT-3 growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16288
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK3
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 269.29, ALogP 1.69, HBA 6, HBD 1, PSA 75.94, QED 0.57
Compound (SMILES): COc1ccc(/C=N/NC(=O)c2sccc2OCc2ccc(F)cc2)cc1OC
InChIKey: FJBLVLHKEHPSCR-FSJBWODESA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 414.46, ALogP 4.25, HBA 6, HBD 1, PSA 69.15, QED 0.44
Compound (SMILES): Cc1c(C(=O)N/N=C/c2cccnc2)sc(N)c1C#N
InChIKey: JMXNBXGKXHXHOK-REZTVBANSA-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 285.33, ALogP 1.67, HBA 6, HBD 2, PSA 104.16, QED 0.66
Compound (SMILES): Oc1ccc(Cl)cc1/C=N/c1ccc(Br)cc1
InChIKey: HMKMXBKNSVBKSA-LZYBPNLTSA-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 310.58, ALogP 4.56, HBA 2, HBD 1, PSA 32.59, QED 0.81
Compound (SMILES): O=C1Nc2ccccc2/C1=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIKey: OYRZCXQOBIBEQT-UHFFFAOYSA-N
Target: Human immunodeficiency virus type 1 reverse transcriptase (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q72547
Assay: Inhibition of HIV1 reverse transcriptase-associated DNA polymerase-independent RNase H activity after 1 hr
Measurement: IC50 = 2900 nM (pChEMBL 5.539999961853027)
Descriptors: MW 365.37, ALogP 3.49, HBA 7, HBD 2, PSA 109.52, QED 0.54
Compound (SMILES): Cc1cc(C)n(CN(Cn2nc(C)cc2C)C2CCCCC2)n1
InChIKey: BUFOHUXVVLVRBQ-UHFFFAOYSA-N
Target: Urease (SINGLE PROTEIN), Canavalia ensiformis
UniProt: P07374
Assay: Inhibition of Canavalia ensiformis (jack bean) urease using urea as substrate after 15 min by indophenol-based spectrophotometric analysis
Measurement: IC50 = 43460 nM (pChEMBL 4.360000133514404)
Descriptors: MW 315.47, ALogP 3.56, HBA 5, HBD 0, PSA 38.88, QED 0.85
Compound (SMILES): CCCCOc1ccc(-c2nc(/C=N/c3nccs3)c(O)o2)cc1
InChIKey: QSXVMWZJGVDGJR-YBFXNURJSA-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 = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 343.41, ALogP 4.43, HBA 7, HBD 1, PSA 80.74, QED 0.51
Compound (SMILES): CCCc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1
InChIKey: MIGGHAVVICNIJH-UDWIEESQSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 321.38, ALogP 3.85, HBA 4, HBD 1, PSA 67.49, QED 0.57
Compound (SMILES): CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1
InChIKey: SBWFSDULOMPOPU-BUVRLJJBSA-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 387.44, ALogP 3.99, HBA 4, HBD 2, PSA 79.79, QED 0.48
Compound (SMILES): NC(COc1cc(C=Cc2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12
InChIKey: AQDWLHMFJHACCX-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 404.9, ALogP 4.73, HBA 4, HBD 2, PSA 76.82, QED 0.44
Compound (SMILES): Oc1nccc(N/N=C/c2ccccc2)n1
InChIKey: SRKBJLDBDOXUKE-MDWZMJQESA-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 214.23, ALogP 1.63, HBA 5, HBD 2, PSA 70.4, QED 0.6
Compound (SMILES): N/C(=N\OC(=O)c1ccccc1)c1ccc(F)cc1F
InChIKey: JXVKJKQHDWWWMY-UHFFFAOYSA-N
Target: Mitochondrial import inner membrane translocase subunit TIM10 (SINGLE PROTEIN), Saccharomyces cerevisiae S288c
UniProt: P87108
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a luminescent tim10-1 yeast counterscreen. (Class of assay: confirmatory) 
Measurement: IC50 = 6710 nM (pChEMBL 5.170000076293945)
Descriptors: MW 276.24, ALogP 2.44, HBA 3, HBD 1, PSA 64.68, QED 0.41
Compound (SMILES): NC(=NO)c1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=NO)c2ccccc2-3)c1
InChIKey: HUIHLSDJNYBMSR-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 408.44, ALogP 2.79, HBA 6, HBD 4, PSA 137.37, QED 0.18
Compound (SMILES): Oc1c(Br)cc(Br)c(/C=N/n2c(S)nnc2-c2ccccc2)c1Br
InChIKey: ZEZCBQRHYPXYGH-FBCYGCLPSA-N
Target: Zinc finger protein mex-5 (SINGLE PROTEIN), Caenorhabditis elegans
UniProt: Q9XUB2
Assay: PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)]
Measurement: EC50 = 5631 nM (pChEMBL 5.25)
Descriptors: MW 533.04, ALogP 5.11, HBA 6, HBD 2, PSA 63.3, QED 0.36
Compound (SMILES): COC(=O)C(/C=N/OCc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc(Cl)c1
InChIKey: NCOBZTIUAMFQRW-KEBDBYFISA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 405.79, ALogP 2.72, HBA 7, HBD 1, PSA 120.13, QED 0.31
Compound (SMILES): CN(C)/C=N/c1ccc2[nH]c3c4ccccc4nc-3cc2c1
InChIKey: BUOHSGJGAWUXEO-YBFXNURJSA-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 288.35, ALogP 4.04, HBA 2, HBD 1, PSA 44.28, QED 0.45
Compound (SMILES): CCN(CC)c1ccc(/N=C/c2ccc([N+](=O)[O-])o2)cc1
InChIKey: KSMBRGBSUIRMHW-LFIBNONCSA-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 287.32, ALogP 3.78, HBA 5, HBD 0, PSA 71.88, QED 0.46
Compound (SMILES): CCOC(=O)C/C(=N\Nc1ncnc2ccccc12)c1ccccc1
InChIKey: LUPPDGTURPREON-OQKWZONESA-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 = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 334.38, ALogP 3.4, HBA 6, HBD 1, PSA 76.47, QED 0.42
Compound (SMILES): Cc1cc(-c2nnc(S)n2/N=C/C(Cl)=C/c2ccccc2)[nH]n1
InChIKey: CVABTOKHXBADGM-BXOFLPTQSA-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 344.83, ALogP 3.38, HBA 6, HBD 2, PSA 71.75, QED 0.56
Compound (SMILES): CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1
InChIKey: IJXZAQYYRYKEHA-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 = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 364.24, ALogP 3.65, HBA 4, HBD 1, PSA 57.84, QED 0.63
Compound (SMILES): CC(C)(O)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12
InChIKey: QFDLVEUFUHCRNH-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 396.36, ALogP 3.2, HBA 8, HBD 1, PSA 93.75, QED 0.5
Compound (SMILES): Cc1cc(C)nc(/N=c2/ssnc2Cl)c1
InChIKey: AVDSFLMZEWGWOV-FMIVXFBMSA-N
Target: Mannose-6-phosphate isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P34949
Assay: PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate. (Class of assay: confirmatory) [Related pubchem assays: 1209 ]
Measurement: IC50 = 28848 nM (pChEMBL 4.539999961853027)
Descriptors: MW 257.77, ALogP 3.1, HBA 5, HBD 0, PSA 38.14, QED 0.74
Compound (SMILES): O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br)Nc1ccccc1
InChIKey: BIOLJPLPUJUMME-VULFUBBASA-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 = 4466.8 nM (pChEMBL 5.349999904632568)
Descriptors: MW 492.33, ALogP 4.98, HBA 5, HBD 2, PSA 92.93, QED 0.28
Compound (SMILES): C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccco1
InChIKey: STRICHMHWSJWTB-OQLLNIDSSA-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 = 794.3 nM (pChEMBL 6.099999904632568)
Descriptors: MW 272.26, ALogP 2.16, HBA 5, HBD 1, PSA 73.06, QED 0.69
Compound (SMILES): Cc1cc(C)nc(N/N=C/C2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3)CC2)n1.Cl
InChIKey: YJSDPPGGKAPWFP-VILDMHFWSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 423.95, ALogP 4.61, HBA 6, HBD 1, PSA 62.64, QED 0.56
Compound (SMILES): CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)nc2N1C1CCCC1
InChIKey: XQVVPGYIWAGRNI-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P78368
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 521.67, ALogP 3.56, HBA 8, HBD 2, PSA 102.93, QED 0.57
Compound (SMILES): Cc1ccc(C(=O)/C=C\Nc2ccc(C)c(C)c2)cc1
InChIKey: CIAMLHZCZHEMRV-KHPPLWFESA-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 = 1584.9 nM (pChEMBL 5.800000190734863)
Descriptors: MW 265.36, ALogP 4.42, HBA 2, HBD 1, PSA 29.1, QED 0.65
Compound (SMILES): Cc1cccc(-c2ccc3c(c2)C(=O)NC3)c1
InChIKey: VKTGOQALQHPVAF-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 > 79432.82 nM (pChEMBL 4.099999904632568)
Descriptors: MW 223.28, ALogP 2.91, HBA 1, HBD 1, PSA 29.1, QED 0.79
Compound (SMILES): C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1
InChIKey: MCJIXNUKGJCWRD-QGOAFFKASA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 283.4, ALogP 3.71, HBA 2, HBD 2, PSA 36.42, QED 0.51
Compound (SMILES): CCc1cccc(NC(=O)Nc2ccc3c(c2)CCc2sc4ncnc(N)c4c2-3)c1
InChIKey: XYXLUJQBBIBJFV-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00535
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 415.52, ALogP 5.25, HBA 5, HBD 3, PSA 92.93, QED 0.43
Compound (SMILES): CCN(CC)c1ccc(/C=N/OCC(=O)Nc2cccc(C)c2)cc1
InChIKey: HQYWMOCTHVNAPN-KGENOOAVSA-N
Target: 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (SINGLE PROTEIN), Homo sapiens
UniProt: P15428
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 339.44, ALogP 3.83, HBA 4, HBD 1, PSA 53.93, QED 0.59
Compound (SMILES): Cc1ccc(-c2nnc(S)n2/N=C/c2c(C)nn(-c3ccccc3)c2C)cc1
InChIKey: NYFOBOBWRDHYHW-LPYMAVHISA-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 = 7079.5 nM (pChEMBL 5.150000095367432)
Descriptors: MW 388.5, ALogP 4.23, HBA 7, HBD 1, PSA 60.89, QED 0.42
Compound (SMILES): CCCCNc1cc(-c2c[nH]c3ncccc23)ncn1
InChIKey: YJBNTRQKJQHMTM-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 = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 267.34, ALogP 3.23, HBA 4, HBD 2, PSA 66.49, QED 0.7
Compound (SMILES): Cn1c(N)nc2sccc21
InChIKey: CEYGJHYWLYBCSP-UHFFFAOYSA-N
Target: High affinity nerve growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04629
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK1
Measurement: Ki = 50118.72 nM (pChEMBL 4.300000190734863)
Descriptors: MW 153.21, ALogP 1.22, HBA 4, HBD 1, PSA 43.84, QED 0.62
Compound (SMILES): CO/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1
InChIKey: NPMCVFRRTRDHRA-CXUHLZMHSA-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 347.28, ALogP 3.28, HBA 8, HBD 0, PSA 126.33, QED 0.43
Compound (SMILES): C/C(=N\NC(=O)c1cccnc1)c1ccc(OC2OCCOC2Oc2ccc(/C(C)=N/NC(=O)c3cccnc3)cc2)cc1
InChIKey: LZNDWEDTUUSYAC-JTOYJDTJSA-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 = 25.1 nM (pChEMBL 7.599999904632568)
Descriptors: MW 594.63, ALogP 3.94, HBA 10, HBD 2, PSA 145.62, QED 0.21
Compound (SMILES): CCn1c(O)c(/C=N/N=C/c2ccc(OC)cc2)c2cc(C3=NNC(=O)CC3)ccc21
InChIKey: JVZOAGHUUNGQIM-GUJRAXHGSA-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 = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 417.47, ALogP 3.44, HBA 7, HBD 2, PSA 100.57, QED 0.47
Compound (SMILES): COc1cc(/C=N/NC2=NS(=O)(=O)c3ccccc32)ccc1OC(C)=O
InChIKey: WJLPFRQEOWUTSD-VCHYOVAHSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 373.39, ALogP 1.69, HBA 7, HBD 1, PSA 106.42, QED 0.38
Compound (SMILES): O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1Cl
InChIKey: CEJGAPVUFBAQMD-CNHKJKLMSA-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 337.16, ALogP 3.49, HBA 4, HBD 1, PSA 59.92, QED 0.69
Compound (SMILES): O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1
InChIKey: KLZLCOULUPUMAI-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 366.24, ALogP 4.09, HBA 3, HBD 1, PSA 49.77, QED 0.84
Compound (SMILES): O=C1CN2C(=NN1)COc1ccccc12
InChIKey: PNPBXXNNLJGHBP-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 = 50118.72 nM (pChEMBL 4.300000190734863)
Descriptors: MW 203.2, ALogP 0.33, HBA 4, HBD 1, PSA 53.93, QED 0.66
Compound (SMILES): Cc1cc(C)nc(N/N=C/c2ccccc2OCc2ccc(Cl)cc2)n1
InChIKey: YNAQFQPKHRQEFX-WSDLNYQXSA-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 366.85, ALogP 4.77, HBA 5, HBD 1, PSA 59.4, QED 0.5
Compound (SMILES): COc1c(F)cc(Oc2c(Cl)cnn(Cc3cccc4ccccc34)c2=O)cc1F
InChIKey: SUCODMONHZVJJU-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7): cell-based dose response assay to identify antagonists of the melanin-concentrating hormone receptor 1 (MCHR1) Set 5. (Class of assay: confirmatory) 
Measurement: IC50  7430 nM (pChEMBL 5.129000186920166)
Descriptors: MW 428.82, ALogP 5.18, HBA 5, HBD 0, PSA 53.35, QED 0.44
Compound (SMILES): CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)c(Br)cc1OC(C)=O
InChIKey: KSBWQSQABTVFGA-LOEPPTBISA-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 = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 413.29, ALogP 3.31, HBA 6, HBD 0, PSA 68.2, QED 0.43
Compound (SMILES): O=C(N/N=C/c1ccc[nH]1)c1ccccc1O
InChIKey: SSFAKFBVXKBZAY-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 = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 229.24, ALogP 1.48, HBA 3, HBD 3, PSA 77.48, QED 0.55
Compound (SMILES): COc1ccc(OCC(=O)N/N=c2\oc3c(OC)cccc3cc2C(N)=O)cc1
InChIKey: FXHNENBATMJYJP-ATJXCDBQSA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 397.39, ALogP 1.56, HBA 7, HBD 2, PSA 125.38, QED 0.58
Compound (SMILES): Cc1ccc(-c2c(C#N)c(N)nc3cc(C)nn23)cc1
InChIKey: FZYXCINEILQJBV-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 263.3, ALogP 2.47, HBA 5, HBD 1, PSA 80, QED 0.73
Compound (SMILES): CCOc1c(Cl)cc(/C=N/NC(N)=S)cc1OC
InChIKey: XGODTOTWVRSKPI-MKMNVTDBSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 287.77, ALogP 1.91, HBA 4, HBD 2, PSA 68.87, QED 0.49
Compound (SMILES): COc1ccc(-c2cnnc(N/N=C/c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1
InChIKey: SRWRLIUIYORIFS-FSJBWODESA-N
Target: Histone-lysine N-methyltransferase 2A (SINGLE PROTEIN), Homo sapiens
UniProt: Q03164
Assay: PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 419.88, ALogP 4.14, HBA 8, HBD 1, PSA 90.11, QED 0.37
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12
InChIKey: XNEPVLVYFUGJLF-UHFFFAOYSA-N
Target: NT-3 growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16288
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK3
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 380.5, ALogP 4.22, HBA 6, HBD 2, PSA 80.9, QED 0.52
Compound (SMILES): O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1CCS(=O)(=O)O
InChIKey: UEMVHDDFBLKUGI-UHFFFAOYSA-N
Target: Low molecular weight phosphotyrosine protein phosphatase (SINGLE PROTEIN), Homo sapiens
UniProt: P24666
Assay: PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in an orthogonal absorbance-based assay. (Class of assay: confirmatory) 
Measurement: IC50  7210 nM (pChEMBL 5.142000198364258)
Descriptors: MW 612.15, ALogP 5.86, HBA 8, HBD 1, PSA 101.73, QED 0.14
Compound (SMILES): Cc1cc(=O)[nH]nc1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
InChIKey: VYPMKWZQENSPAB-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 354.8, ALogP 4.04, HBA 3, HBD 3, PSA 86.88, QED 0.66
Compound (SMILES): Cc1ccsc1/C=N/Nc1nc2ccccc2[nH]1
InChIKey: LEOSZWSITZSBLA-RIYZIHGNSA-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 = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 256.33, ALogP 3.38, HBA 4, HBD 2, PSA 53.07, QED 0.56
Compound (SMILES): CCOC(=O)C(C#N)c1ccnn(Cc2cccc3ccccc23)c1=O
InChIKey: SDJFSGCDNYHVAL-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7): cell-based dose response assay to identify antagonists of the melanin-concentrating hormone receptor 1 (MCHR1) Set 5. (Class of assay: confirmatory) 
Measurement: IC50  15000 nM (pChEMBL 4.823999881744385)
Descriptors: MW 347.37, ALogP 2.62, HBA 6, HBD 0, PSA 84.98, QED 0.66
Compound (SMILES): COc1ccc(Oc2c(Cl)cnn(CC(=O)N3c4ccccc4CC3C)c2=O)cc1
InChIKey: AMWDDIDHDMAFOT-UHFFFAOYSA-N
Target: Neuropeptides B/W receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48145
Assay: Antagonist activity against human NPBWR1 expressed in HEK293 cells co-expressing Gqi3 assessed as inhibition of agonist-induced response by FLIPR assay
Measurement: IC50 = 780 nM (pChEMBL 6.110000133514404)
Descriptors: MW 425.87, ALogP 3.68, HBA 6, HBD 0, PSA 73.66, QED 0.62
Compound (SMILES): O=c1oc2ccccc2c2[nH]c(-c3ccccc3)nc12
InChIKey: OCYCHLUIIFERGO-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAZ1
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 262.27, ALogP 3.34, HBA 3, HBD 1, PSA 58.89, QED 0.54
Compound (SMILES): N#CC(c1c(Cl)cnn(Cc2cccc3ccccc23)c1=O)c1coc2ccccc12
InChIKey: LVGRLWVROPWLPG-UHFFFAOYSA-N
Target: Melanin-concentrating hormone receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99705
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based counterscreen for antagonists of the G-protein coupled receptor 7 (GPR7): cell-based dose response assay to identify antagonists of the melanin-concentrating hormone receptor 1 (MCHR1) Set 6. (Class of assay: confirmatory) 
Measurement: IC50  294 nM (pChEMBL 6.5320000648498535)
Descriptors: MW 425.88, ALogP 5.5, HBA 5, HBD 0, PSA 71.82, QED 0.38
Compound (SMILES): CC(C)(CN1C(=O)C(Cl)=C(Cl)C1=O)CN1C(=O)C(Cl)=C(Cl)C1=O
InChIKey: PCOXPBOKDABARQ-UHFFFAOYSA-N
Target: Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN (SINGLE PROTEIN), Homo sapiens
UniProt: Q14191
Assay: Inhibition of WRN (unknown origin)
Measurement: IC50 = 230 nM (pChEMBL 6.639999866485596)
Descriptors: MW 400.05, ALogP 2.13, HBA 4, HBD 0, PSA 74.76, QED 0.68
Compound (SMILES): CC/C(C)=N/Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1
InChIKey: YKDDHFQTNOWTRC-RGVLZGJSSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 340.39, ALogP 1.67, HBA 7, HBD 2, PSA 97.07, QED 0.55
Compound (SMILES): Cc1ccccc1/N=C1/c2cc([N+](=O)[O-])ccc2-c2ncccc21
InChIKey: KSRSQUGYFRNPTK-XUTLUUPISA-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 315.33, ALogP 4.45, HBA 4, HBD 0, PSA 68.39, QED 0.41
Compound (SMILES): CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CCCC4)ccc3n2)c1
InChIKey: HTROFVQKJODSCL-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 535.65, ALogP 6.13, HBA 7, HBD 3, PSA 108.06, QED 0.2
Compound (SMILES): Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1
InChIKey: JTADUBMGMMLWHV-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 = 66710 nM (pChEMBL 4.179999828338623)
Descriptors: MW 376.46, ALogP 3.06, HBA 7, HBD 1, PSA 90.02, QED 0.75
Compound (SMILES): CC(C)(C)c1cc(NC(=O)c2cc3ccccc3s2)n(-c2cccc(OCC(=O)O)c2)n1
InChIKey: DYCSZTQUCKCMME-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 449.53, ALogP 5.1, HBA 6, HBD 2, PSA 93.45, QED 0.43
Compound (SMILES): Cc1ccc(S(=O)(=O)/N=C2/C=C(Sc3nc[nH]n3)C(=O)c3ccccc32)cc1
InChIKey: HDOKKAMQZREOLG-KQWNVCNZSA-N
Target: Induced myeloid leukemia cell differentiation protein Mcl-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07820
Assay: Inhibition of MCL-1 (unknown origin) by TR-FRET assay
Measurement: IC50 = 14 nM (pChEMBL 7.849999904632568)
Descriptors: MW 410.48, ALogP 3.16, HBA 6, HBD 1, PSA 105.14, QED 0.71
Compound (SMILES): COc1ccc(NC(=S)N/N=C2\CC(C)(C)Oc3ccc(O)cc32)cc1
InChIKey: UXGVZHVJSTYDJZ-LTGZKZEYSA-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 371.46, ALogP 3.65, HBA 5, HBD 3, PSA 75.11, QED 0.56