lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nc[nH]n3)cc12
InChIKey: JLRRNFYWQUCREK-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: O15111
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHUK
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 345.41, ALogP 3.68, HBA 4, HBD 2, PSA 75.6, QED 0.59
Compound (SMILES): Cc1c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc2n1C
InChIKey: KINGBZOGECVTFJ-YBFXNURJSA-N
Target: Replicative DNA helicase DnaB (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WMR3
Assay: PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950]
Measurement: AC50 = 3817 nM (pChEMBL 5.420000076293945)
Descriptors: MW 303.37, ALogP 3.81, HBA 4, HBD 2, PSA 58, QED 0.45
Compound (SMILES): O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)NC12CC3CC(CC(C3)C1)C2
InChIKey: AXQVJJCOODMTHW-AWQFTUOYSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 392.84, ALogP 3.56, HBA 5, HBD 3, PSA 116.86, QED 0.41
Compound (SMILES): CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: DADQIQQXJSXLAV-UHFFFAOYSA-N
Target: MAP/microtubule affinity-regulating kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P27448
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK3
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 484.6, ALogP 5, HBA 5, HBD 3, PSA 105.28, QED 0.36
Compound (SMILES): CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)c1
InChIKey: NERHXBMOXUNYBH-XQNSMLJCSA-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 = 446.7 nM (pChEMBL 6.349999904632568)
Descriptors: MW 460.56, ALogP 2.02, HBA 7, HBD 2, PSA 111.54, QED 0.46
Compound (SMILES): CCOc1cc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)ccc1O
InChIKey: ZRWQBDNMCSPGLI-RGVLZGJSSA-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 = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 366.43, ALogP 3.14, HBA 8, HBD 2, PSA 97.45, QED 0.51
Compound (SMILES): COc1ccc2c(Cl)c(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)sc2c1
InChIKey: BCDSMPIHIRYKQV-LSHDLFTRSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: PUBCHEM_BIOASSAY: Counterscreen assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1): Fluorescence-based cell-based dose response assay for antagonists of the orexin 2 receptor (OX2R; HCRTR2), run by assay provider. (Class of assay: confirmatory) 
Measurement: IC50  23200 nM (pChEMBL 4.635000228881836)
Descriptors: MW 397.89, ALogP 5.12, HBA 4, HBD 2, PSA 66.48, QED 0.37
Compound (SMILES): O=C(COc1ccccc1C(=O)N/N=C\c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1
InChIKey: JWOZYIUEZDYFNK-OEBRIAQWSA-N
Target: Inositol monophosphatase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97697
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) 
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 464.43, ALogP 1.8, HBA 9, HBD 6, PSA 173.07, QED 0.17
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1
InChIKey: DILZQOYOWSNWDQ-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SLK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 466.55, ALogP 5.22, HBA 5, HBD 3, PSA 111.84, QED 0.35
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1
InChIKey: NRGYZNJPCGRCLV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 455.59, ALogP 5.41, HBA 5, HBD 3, PSA 83.28, QED 0.36
Compound (SMILES): O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1
InChIKey: UMYBAQLXZPEUQW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 325.3, ALogP 3.2, HBA 6, HBD 3, PSA 100.03, QED 0.66
Compound (SMILES): COc1cccc(/C=N/c2ccc3c(c2)OCCO3)c1O
InChIKey: IIJBMHBXGVHQNS-LICLKQGHSA-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 = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 285.3, ALogP 2.92, HBA 5, HBD 1, PSA 60.28, QED 0.88
Compound (SMILES): NC(=S)N/N=C/c1ncc(C(F)(F)F)cc1Cl
InChIKey: WSXXMOKRJVTMCX-CRKCGEKBSA-N
Target: Latent membrane protein 1 (SINGLE PROTEIN), Human herpesvirus 4 (strain B95-8)
UniProt: P03230
Assay: PUBCHEM_BIOASSAY: Viability counterscreen of potential LMP-1 inhibitors in HEK293 cell background Measured in Cell-Based System Using Plate Reader - 2122-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586]
Measurement: AC50 = 17919 nM (pChEMBL 4.75)
Descriptors: MW 282.68, ALogP 1.92, HBA 3, HBD 2, PSA 63.3, QED 0.49
Compound (SMILES): COCC/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O
InChIKey: RFMNRVRJCACEGK-PZFQXLDKSA-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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 391.47, ALogP 2.82, HBA 9, HBD 3, PSA 99.57, QED 0.34
Compound (SMILES): CCCC(=O)Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12
InChIKey: BQWACEUCYSZDBQ-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 317.3, ALogP 3.04, HBA 4, HBD 2, PSA 83.56, QED 0.77
Compound (SMILES): CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3)ccc21
InChIKey: XOSCAFZLXOPHJA-HZHRSRAPSA-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 341.41, ALogP 4.58, HBA 3, HBD 1, PSA 46.39, QED 0.43
Compound (SMILES): C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1cccc(N)c1
InChIKey: GTMZLJUZLZQSLC-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 = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 270.29, ALogP 3.01, HBA 5, HBD 2, PSA 93.55, QED 0.39
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12
InChIKey: FBWWNLBZZFVRQY-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60674
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 400.28, ALogP 5.31, HBA 3, HBD 2, PSA 66.91, QED 0.57
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1
InChIKey: QPORZABOFXPRHM-UHFFFAOYSA-N
Target: Tyrosine-protein kinase FRK (SINGLE PROTEIN), Homo sapiens
UniProt: P42685
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FRK
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 418.48, ALogP 4.48, HBA 6, HBD 4, PSA 122.03, QED 0.39
Compound (SMILES): Nc1n[nH]c2c(Cl)cccc12
InChIKey: HNISSRAYDSNHNN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM1
Measurement: Ki > 100000 nM (pChEMBL 4)
Descriptors: MW 167.6, ALogP 1.8, HBA 2, HBD 2, PSA 54.7, QED 0.63
Compound (SMILES): c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIKey: CQXFMKMVOOUGSS-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q13627
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1A
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 327.39, ALogP 4.95, HBA 4, HBD 1, PSA 47.04, QED 0.56
Compound (SMILES): CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1
InChIKey: OBHMNLIBIPFXCY-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 490.55, ALogP 4.17, HBA 8, HBD 2, PSA 144.35, QED 0.22
Compound (SMILES): CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1
InChIKey: SKKRZILJUKYLJS-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12851
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K2
Measurement: Ki = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 384.87, ALogP 3.53, HBA 5, HBD 3, PSA 95.59, QED 0.6
Compound (SMILES): CCOC(=O)c1c(C)oc2c1c(/C=N/Cc1ccccn1)c(O)c1ccccc12
InChIKey: PJLYIVZSINHMIU-ZMOGYAJESA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 388.42, ALogP 4.79, HBA 6, HBD 1, PSA 84.92, QED 0.39
Compound (SMILES): NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O
InChIKey: PJPRVHYLYNCEGA-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 293.33, ALogP 2.45, HBA 6, HBD 3, PSA 96.95, QED 0.64
Compound (SMILES): Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1
InChIKey: LCHCSKHPVCDXAU-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK2
Measurement: Ki = 63.1 nM (pChEMBL 7.199999809265137)
Descriptors: MW 329.79, ALogP 3.26, HBA 5, HBD 2, PSA 75.72, QED 0.72
Compound (SMILES): Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIKey: WPHKIQPVPYJNAX-UHFFFAOYSA-N
Target: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCQ
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 488.55, ALogP 5.18, HBA 7, HBD 4, PSA 118.09, QED 0.26
Compound (SMILES): O=C(N/N=C/c1ccccn1)c1cc(-c2ccc3ccccc3c2)[nH]n1
InChIKey: MPKRSBLEPUYVPU-LPYMAVHISA-N
Target: RecQ-like DNA helicase BLM (SINGLE PROTEIN), Homo sapiens
UniProt: P54132
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom&apos;s syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom&apos;s syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom&apos;s syndrome helicase (BLM))]
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 341.37, ALogP 3.39, HBA 4, HBD 2, PSA 83.03, QED 0.44
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1
InChIKey: VSVWQTDDGQSGHP-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 525.72, ALogP 7.54, HBA 5, HBD 4, PSA 106.06, QED 0.13
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21
InChIKey: BKBCSMDCCAWWNC-UHFFFAOYSA-N
Target: BDNF/NT-3 growth factors receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q16620
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK2
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 327.19, ALogP 3.88, HBA 3, HBD 1, PSA 46.5, QED 0.58
Compound (SMILES): Sc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1/N=C/c1c2ccccc2cc2ccccc12
InChIKey: WCLOWKRTLPNLSV-JVWAILMASA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: PUBCHEM_BIOASSAY: Counterscreen assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1): Fluorescence-based cell-based dose response assay for antagonists of the orexin 2 receptor (OX2R; HCRTR2), run by assay provider. (Class of assay: confirmatory) 
Measurement: IC50 > 88800 nM (pChEMBL 4.052000045776367)
Descriptors: MW 446.54, ALogP 5.81, HBA 6, HBD 2, PSA 71.75, QED 0.2
Compound (SMILES): NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1
InChIKey: VTQQYBGURNVVFE-UHFFFAOYSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ACK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 333.21, ALogP 3.82, HBA 3, HBD 1, PSA 55.98, QED 0.77
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: YPDWGKSFVMASOZ-UHFFFAOYSA-N
Target: Eukaryotic elongation factor 2 kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00418
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EEF2K
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 424.46, ALogP 4.01, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\c1ccc(N(C)C)cc1
InChIKey: ILAVYGWISWLOII-CYVLTUHYSA-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 326.36, ALogP 1.03, HBA 6, HBD 1, PSA 97, QED 0.83
Compound (SMILES): CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)c1ccccc1
InChIKey: IBPSHHSPUPWXHN-UHFFFAOYSA-N
Target: Misshapen-like kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4C8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MINK
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 616.75, ALogP 6.42, HBA 10, HBD 2, PSA 99.92, QED 0.2
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCCOCCO)c2)n1
InChIKey: KUVNSIJSYBSMJX-UHFFFAOYSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ACK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 515.61, ALogP 4.71, HBA 6, HBD 4, PSA 117.51, QED 0.24
Compound (SMILES): COc1ccc(/N=C/C2=C(O)c3ccccc3CC2)cc1
InChIKey: NUPHIEHCJSMMIF-XDHOZWIPSA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 279.34, ALogP 4.31, HBA 3, HBD 1, PSA 41.82, QED 0.85
Compound (SMILES): C/C(=N\NC(=S)Nc1cccc(C)c1)c1cc2ccccc2o1
InChIKey: SAIXYCIKEWSEGP-DEDYPNTBSA-N
Target: Polyadenylate-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11940
Assay: PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) 
Measurement: IC50 > 66000 nM (pChEMBL 4.179999828338623)
Descriptors: MW 323.42, ALogP 4.45, HBA 3, HBD 2, PSA 49.56, QED 0.42
Compound (SMILES): COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccco3)nn2c1=O
InChIKey: ADCWLBBZUYYUKS-JYRVWZFOSA-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 = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 404.25, ALogP 2.73, HBA 7, HBD 0, PSA 69.63, QED 0.53
Compound (SMILES): N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)C1=O
InChIKey: JBRASADWXDKCLJ-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 411.89, ALogP 5.87, HBA 3, HBD 0, PSA 57.93, QED 0.4
Compound (SMILES): O=c1/c(=C/c2ccccn2)sc2nc3ccccc3n12
InChIKey: WCIVOCKEAKOYBX-LCYFTJDESA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: PUBCHEM_BIOASSAY: Counter Screen for Luciferase-based Assay Positives. (Class of assay: confirmatory) [Related pubchem assays: 620, 618, 411 ]
Measurement: EC50 < 200 nM (pChEMBL 6.698999881744385)
Descriptors: MW 279.32, ALogP 1.85, HBA 5, HBD 0, PSA 47.26, QED 0.53
Compound (SMILES): CS(=O)(=O)N(Cc1ccc2[nH]c(=O)c3cccn3c2c1)C1CC1
InChIKey: MIKAKZKNMYZLDX-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 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 331.4, ALogP 1.7, HBA 4, HBD 1, PSA 74.65, QED 0.79
Compound (SMILES): Cn1ccc(=Nc2ccc(NC(=O)c3ccc(/N=c4\ccn(C)c5ccc([N+](=O)[O-])cc45)cc3)cc2)cc1
InChIKey: SDVVSJQTYKFAFR-TVKQRKNISA-N
Target: DNA polymerase beta (SINGLE PROTEIN), Homo sapiens
UniProt: P06746
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 
Measurement: Potency = 354.8 nM (pChEMBL 6.449999809265137)
Descriptors: MW 504.55, ALogP 5.14, HBA 7, HBD 1, PSA 106.82, QED 0.26
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21
InChIKey: YXUQWISLOFXNGN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase TAO1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L7X3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TAO1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 352.2, ALogP 3.75, HBA 4, HBD 1, PSA 70.29, QED 0.57
Compound (SMILES): Cc1ccc(/C=N/c2ccc(N(C)C)cc2)o1
InChIKey: KYSKTXFRIGTWOQ-XNTDXEJSSA-N
Target: Thyrotropin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P16473
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 228.29, ALogP 3.4, HBA 3, HBD 0, PSA 28.74, QED 0.75
Compound (SMILES): COc1cccc(C(C)NC(=O)c2sc(-c3ccncc3)nc2C)c1
InChIKey: ASMBMGMEQLFISS-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y463
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1B
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 353.45, ALogP 4.01, HBA 5, HBD 1, PSA 64.11, QED 0.75
Compound (SMILES): Cc1c(O)cccc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12
InChIKey: YRMXRRQDAYFXOL-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 344.37, ALogP 3.66, HBA 5, HBD 2, PSA 79.52, QED 0.59
Compound (SMILES): COc1ccc(/C=N/Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1
InChIKey: LEHNGCPHFSETMC-CIAFOILYSA-N
Target: Small ubiquitin-related modifier 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P63165
Assay: PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of SUMO1-mediated protein-protein interactions using a fluorescence polarization assay. (Class of assay: confirmatory) 
Measurement: IC50  66600 nM (pChEMBL 4.177000045776367)
Descriptors: MW 351.41, ALogP 4.02, HBA 6, HBD 1, PSA 64.97, QED 0.54
Compound (SMILES): O=C1NCc2c1cccc2-c1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIKey: WKEYMNLZBZKLOG-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 = 794.33 nM (pChEMBL 6.099999904632568)
Descriptors: MW 340.39, ALogP 4.22, HBA 3, HBD 3, PSA 69.81, QED 0.52
Compound (SMILES): COc1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(C)c3)cc2)c2c(N)noc12
InChIKey: ACNCCUVYXQGPKZ-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 406.42, ALogP 5.18, HBA 5, HBD 3, PSA 102.41, QED 0.43
Compound (SMILES): COc1ccc2c(NC(=O)Nc3cc(C(F)(F)F)ccn3)ccnc2c1
InChIKey: SZALFSTUDMTGGL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase ABL1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00519
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ABL1
Measurement: Ki > 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 362.31, ALogP 4.3, HBA 4, HBD 2, PSA 76.14, QED 0.73
Compound (SMILES): COc1cc(/C=N/NC(=S)Nc2cccc(Cl)c2C)ccc1OCC(=O)N1CC(C)OC(C)C1
InChIKey: LRUMHJWUSZOFLY-KBKYJPHKSA-N
Target: Protein RecA (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WHJ3
Assay: PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2097, AID2223, AID489010, AID492950]
Measurement: EC50 = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 505.04, ALogP 3.99, HBA 6, HBD 2, PSA 84.42, QED 0.33
Compound (SMILES): O=c1c(NCc2cccc(C(F)(F)F)c2)c(Nc2ccncc2)c1=O
InChIKey: GQHMZZXJWGPHDA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O95819
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K4
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 347.3, ALogP 3.05, HBA 5, HBD 2, PSA 71.09, QED 0.69
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1I)C(C#N)=C(N)O2
InChIKey: FQBWBTKXLRVHDG-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SLK
Measurement: Ki = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 378.17, ALogP 2.54, HBA 4, HBD 2, PSA 87.72, QED 0.75
Compound (SMILES): Cn1cc(C(CN)c2cncc(C=Cc3ccncc3)c2)c2ccccc21
InChIKey: SJDGHXXYFFXVPE-UHFFFAOYSA-N
Target: Eukaryotic elongation factor 2 kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00418
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EEF2K
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 354.46, ALogP 4.23, HBA 4, HBD 1, PSA 56.73, QED 0.58
Compound (SMILES): COc1cc(/C=N/Nc2ccc(C(=O)O)cc2)ccc1O
InChIKey: VZOQOZQXLIKTDA-CXUHLZMHSA-N
Target: DNA repair nuclease/redox regulator APEX1 (SINGLE PROTEIN), Homo sapiens
UniProt: P27695
Assay: PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) [Related pubchem assays: 1705 (qHTS Validation Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1) ), 2324 (Probe Development Summary of Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)), 1707 (Counterscreen for APE1 Inhibitors: Fluorescent Dye Displacement Validation Assay), 2517 (qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)), 1708 (Counterscreen for APE1 Inhibitors: qHTS Validation Assay for Inhibitors of Endonuclease IV)]
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 286.29, ALogP 2.55, HBA 5, HBD 3, PSA 91.15, QED 0.58
Compound (SMILES): O=C(N/N=C/c1ccccc1O)c1cccc(C(F)(F)F)c1
InChIKey: LHVMJBSFERATBZ-DJKKODMXSA-N
Target: DNA polymerase beta (SINGLE PROTEIN), Homo sapiens
UniProt: P06746
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 308.26, ALogP 3.17, HBA 3, HBD 2, PSA 61.69, QED 0.68
Compound (SMILES): CCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)csc12
InChIKey: OWFXKTOLFUQPDJ-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q13627
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1A
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 449.51, ALogP 5.08, HBA 5, HBD 4, PSA 109.14, QED 0.34
Compound (SMILES): Oc1ccc(/C=N/n2cc(-c3ccccc3)nc2S)cc1
InChIKey: UTGZMTMQRJRNIU-LICLKQGHSA-N
Target: Polyadenylate-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11940
Assay: PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) 
Measurement: IC50 > 66000 nM (pChEMBL 4.179999828338623)
Descriptors: MW 295.37, ALogP 3.43, HBA 5, HBD 2, PSA 50.41, QED 0.57
Compound (SMILES): O=c1c(NCc2ccc(Cl)cc2Cl)c(Nc2ccc3[nH]ncc3c2)c1=O
InChIKey: LOCWELCIOZHZHE-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 > 10000 nM (pChEMBL 5)
Descriptors: MW 387.23, ALogP 3.82, HBA 5, HBD 3, PSA 86.88, QED 0.45
Compound (SMILES): O=C1/C(=N/c2ccc(O)cc2)C(Cl)=C(O)c2ccccc21
InChIKey: SWVJYUGDITUJRT-NBVRZTHBSA-N
Target: Replicative DNA helicase DnaB (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WMR3
Assay: PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950]
Measurement: AC50 = 3363 nM (pChEMBL 5.46999979019165)
Descriptors: MW 299.71, ALogP 3.83, HBA 4, HBD 2, PSA 69.89, QED 0.84
Compound (SMILES): O=C(NC(CSCc1ccccc1)C(=O)N/N=C/c1ccc(O)cc1O)c1ccc([N+](=O)[O-])cc1
InChIKey: KOCUHNADGOJUPA-DHRITJCHSA-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 = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 494.53, ALogP 3.19, HBA 8, HBD 4, PSA 154.16, QED 0.19
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CC(C)(C)N)cnc(N)c34)cc2)c1
InChIKey: GSXRCPJTNIGKSZ-UHFFFAOYSA-N
Target: Protein kinase C delta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05655
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCD
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 455.59, ALogP 5.59, HBA 5, HBD 4, PSA 106.06, QED 0.3
Compound (SMILES): CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccc5[nH]ncc5c4)n3)cc2)CC1
InChIKey: UVLOSTAZXZSNCP-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 434.94, ALogP 4.25, HBA 7, HBD 3, PSA 85, QED 0.43
Compound (SMILES): Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3nc[nH]n3)cc12
InChIKey: JLRRNFYWQUCREK-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Lck (SINGLE PROTEIN), Homo sapiens
UniProt: P06239
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LCK
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 345.41, ALogP 3.68, HBA 4, HBD 2, PSA 75.6, QED 0.59
Compound (SMILES): Cc1c(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc2n1C
InChIKey: KINGBZOGECVTFJ-YBFXNURJSA-N
Target: Replicative DNA helicase DnaB (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WMR3
Assay: PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Non-Covalent Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950]
Measurement: AC50 = 28140 nM (pChEMBL 4.550000190734863)
Descriptors: MW 303.37, ALogP 3.81, HBA 4, HBD 2, PSA 58, QED 0.45
Compound (SMILES): O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)NC12CC3CC(CC(C3)C1)C2
InChIKey: AXQVJJCOODMTHW-AWQFTUOYSA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 392.84, ALogP 3.56, HBA 5, HBD 3, PSA 116.86, QED 0.41
Compound (SMILES): CN(CCN)C(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: DADQIQQXJSXLAV-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 > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 484.6, ALogP 5, HBA 5, HBD 3, PSA 105.28, QED 0.36
Compound (SMILES): CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)c1
InChIKey: NERHXBMOXUNYBH-XQNSMLJCSA-N
Target: Mitogen-activated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28482
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 460.56, ALogP 2.02, HBA 7, HBD 2, PSA 111.54, QED 0.46
Compound (SMILES): CCOc1cc(/C=N/Nc2cc(C)nc(-n3nc(C)cc3C)n2)ccc1O
InChIKey: ZRWQBDNMCSPGLI-RGVLZGJSSA-N
Target: Tyrosyl-DNA phosphodiesterase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NUW8
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) 
Measurement: Potency = 79432.8 nM (pChEMBL 4.099999904632568)
Descriptors: MW 366.43, ALogP 3.14, HBA 8, HBD 2, PSA 97.45, QED 0.51
Compound (SMILES): COc1ccc2c(Cl)c(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)sc2c1
InChIKey: BCDSMPIHIRYKQV-LSHDLFTRSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434989, AID435008, AID463079, AID485270, AID492963, AID492964, AID492965, AID493232, AID504717, AID504718]
Measurement: IC50 = 6574 nM (pChEMBL 5.179999828338623)
Descriptors: MW 397.89, ALogP 5.12, HBA 4, HBD 2, PSA 66.48, QED 0.37
Compound (SMILES): O=C(COc1ccccc1C(=O)N/N=C\c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1
InChIKey: JWOZYIUEZDYFNK-OEBRIAQWSA-N
Target: Lysosomal alpha-glucosidase (SINGLE PROTEIN), Homo sapiens
UniProt: P10253
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]
Measurement: Potency = 3138.1 nM (pChEMBL 5.5)
Descriptors: MW 464.43, ALogP 1.8, HBA 9, HBD 6, PSA 173.07, QED 0.17
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCC#N)c2)n1
InChIKey: DILZQOYOWSNWDQ-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14012
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 466.55, ALogP 5.22, HBA 5, HBD 3, PSA 111.84, QED 0.35
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN(C)C)cnc(N)c34)cc2)c1
InChIKey: NRGYZNJPCGRCLV-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase ROS (SINGLE PROTEIN), Homo sapiens
UniProt: P08922
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROS1
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 455.59, ALogP 5.41, HBA 5, HBD 3, PSA 83.28, QED 0.36
Compound (SMILES): O=C(O)c1ccccc1Nc1ncnc(Nc2cccc(F)c2)n1
InChIKey: UMYBAQLXZPEUQW-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 325.3, ALogP 3.2, HBA 6, HBD 3, PSA 100.03, QED 0.66
Compound (SMILES): NC(=S)N/N=C/c1ncc(C(F)(F)F)cc1Cl
InChIKey: WSXXMOKRJVTMCX-CRKCGEKBSA-N
Target: Beta-galactosidase (SINGLE PROTEIN), Escherichia coli
UniProt: Q8VNN2
Assay: PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzyme, b-galactosidase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1778, AID1785, AID1786, AID2284, AID2285, AID2348, AID2352, AID2357, AID2359, AID2370, AID2420, AID2478, AID2491, AID2492, AID2493, AID2495, AID2497, AID2498, AID2500, AID434981, AID449737, AID463105, AID485352, AID488822, AID488842, AID488935]
Measurement: EC50 > 31500 nM (pChEMBL 4.501999855041504)
Descriptors: MW 282.68, ALogP 1.92, HBA 3, HBD 2, PSA 63.3, QED 0.49
Compound (SMILES): COCC/N=c1\scc(-c2cccs2)n1/N=C/c1ccc(O)c(O)c1O
InChIKey: RFMNRVRJCACEGK-PZFQXLDKSA-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 = 7079.5 nM (pChEMBL 5.150000095367432)
Descriptors: MW 391.47, ALogP 2.82, HBA 9, HBD 3, PSA 99.57, QED 0.34
Compound (SMILES): CCCC(=O)Nc1n[nH]c2nnc(-c3cccc(F)c3F)cc12
InChIKey: BQWACEUCYSZDBQ-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 317.3, ALogP 3.04, HBA 4, HBD 2, PSA 83.56, QED 0.77
Compound (SMILES): CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3)ccc21
InChIKey: XOSCAFZLXOPHJA-HZHRSRAPSA-N
Target: Latent membrane protein 1 (SINGLE PROTEIN), Human herpesvirus 4 (strain B95-8)
UniProt: P03230
Assay: PUBCHEM_BIOASSAY: Viability counterscreen of potential LMP-1 inhibitors in HEK293 cell background Measured in Cell-Based System Using Plate Reader - 2122-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586]
Measurement: AC50 = 38435 nM (pChEMBL 4.420000076293945)
Descriptors: MW 341.41, ALogP 4.58, HBA 3, HBD 1, PSA 46.39, QED 0.43
Compound (SMILES): C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1cccc(N)c1
InChIKey: GTMZLJUZLZQSLC-MHWRWJLKSA-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 = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 270.29, ALogP 3.01, HBA 5, HBD 2, PSA 93.55, QED 0.39
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(C(F)(F)F)cccc12
InChIKey: FBWWNLBZZFVRQY-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B
Measurement: Ki = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 400.28, ALogP 5.31, HBA 3, HBD 2, PSA 66.91, QED 0.57
Compound (SMILES): Cc1ccccc1NC(=O)Nc1ccc(NC(=O)c2csc3ncnc(N)c23)cc1
InChIKey: QPORZABOFXPRHM-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 418.48, ALogP 4.48, HBA 6, HBD 4, PSA 122.03, QED 0.39
Compound (SMILES): Nc1n[nH]c2c(Cl)cccc12
InChIKey: HNISSRAYDSNHNN-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 31622.78 nM (pChEMBL 4.5)
Descriptors: MW 167.6, ALogP 1.8, HBA 2, HBD 2, PSA 54.7, QED 0.63
Compound (SMILES): c1ccc(COc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIKey: CQXFMKMVOOUGSS-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase alpha-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51812
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 327.39, ALogP 4.95, HBA 4, HBD 1, PSA 47.04, QED 0.56
Compound (SMILES): CN(C)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(NS(=O)(=O)c3ccc(N)cc3)n2)cc1
InChIKey: OBHMNLIBIPFXCY-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 > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 490.55, ALogP 4.17, HBA 8, HBD 2, PSA 144.35, QED 0.22
Compound (SMILES): CC(=O)NC1CCCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1
InChIKey: SKKRZILJUKYLJS-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 384.87, ALogP 3.53, HBA 5, HBD 3, PSA 95.59, QED 0.6
Compound (SMILES): CCOC(=O)c1c(C)oc2c1c(/C=N/Cc1ccccn1)c(O)c1ccccc12
InChIKey: PJLYIVZSINHMIU-ZMOGYAJESA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 388.42, ALogP 4.79, HBA 6, HBD 1, PSA 84.92, QED 0.39
Compound (SMILES): NCc1cc(Nc2ncnc(-c3ccccc3)n2)ccc1O
InChIKey: PJPRVHYLYNCEGA-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 1B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y463
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1B
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 293.33, ALogP 2.45, HBA 6, HBD 3, PSA 96.95, QED 0.64
Compound (SMILES): Clc1cc(-c2c[nH]c3ncccc23)nc(NC2CCOCC2)n1
InChIKey: LCHCSKHPVCDXAU-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P49840
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3A
Measurement: Ki = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 329.79, ALogP 3.26, HBA 5, HBD 2, PSA 75.72, QED 0.72
Compound (SMILES): Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
InChIKey: WPHKIQPVPYJNAX-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: Q13555
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2G
Measurement: Ki = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 488.55, ALogP 5.18, HBA 7, HBD 4, PSA 118.09, QED 0.26
Compound (SMILES): O=C(N/N=C/c1ccccn1)c1cc(-c2ccc3ccccc3c2)[nH]n1
InChIKey: MPKRSBLEPUYVPU-LPYMAVHISA-N
Target: X-box-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17861
Assay: PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217]
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 341.37, ALogP 3.39, HBA 4, HBD 2, PSA 83.03, QED 0.44
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21
InChIKey: BKBCSMDCCAWWNC-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 327.19, ALogP 3.88, HBA 3, HBD 1, PSA 46.5, QED 0.58
Compound (SMILES): NC(=O)c1cc2c(-c3ccc(Br)cc3)cncc2s1
InChIKey: VTQQYBGURNVVFE-UHFFFAOYSA-N
Target: G protein-coupled receptor kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P34947
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GPRK5
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 333.21, ALogP 3.82, HBA 3, HBD 1, PSA 55.98, QED 0.77
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCCC(C)(C)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: YPDWGKSFVMASOZ-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17948
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT1
Measurement: Ki > 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 424.46, ALogP 4.01, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\c1ccc(N(C)C)cc1
InChIKey: ILAVYGWISWLOII-CYVLTUHYSA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 326.36, ALogP 1.03, HBA 6, HBD 1, PSA 97, QED 0.83
Compound (SMILES): CN(C)c1ccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1NC(=O)c1ccccc1
InChIKey: IBPSHHSPUPWXHN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 616.75, ALogP 6.42, HBA 10, HBD 2, PSA 99.92, QED 0.2
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCCOCCO)c2)n1
InChIKey: KUVNSIJSYBSMJX-UHFFFAOYSA-N
Target: G protein-coupled receptor kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P34947
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GPRK5
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 515.61, ALogP 4.71, HBA 6, HBD 4, PSA 117.51, QED 0.24
Compound (SMILES): COc1ccc(/N=C/C2=C(O)c3ccccc3CC2)cc1
InChIKey: NUPHIEHCJSMMIF-XDHOZWIPSA-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 = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 279.34, ALogP 4.31, HBA 3, HBD 1, PSA 41.82, QED 0.85
Compound (SMILES): COc1ccc(Br)cc1/C=c1\sc2nc(-c3ccco3)nn2c1=O
InChIKey: ADCWLBBZUYYUKS-JYRVWZFOSA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with 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), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 404.25, ALogP 2.73, HBA 7, HBD 0, PSA 69.63, QED 0.53
Compound (SMILES): N#CC1=C(c2ccccc2)CC(c2ccc(Cl)cc2)C(C(=O)c2ccccc2)C1=O
InChIKey: JBRASADWXDKCLJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK1
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 411.89, ALogP 5.87, HBA 3, HBD 0, PSA 57.93, QED 0.4
Compound (SMILES): O=c1/c(=C/c2ccccn2)sc2nc3ccccc3n12
InChIKey: WCIVOCKEAKOYBX-LCYFTJDESA-N
Target: Pyruvate kinase (SINGLE PROTEIN), Leishmania mexicana
UniProt: Q27686
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Activators of Leishmania Mexicana Pyruvate Kinase (LmPK). (Class of assay: confirmatory) 
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 279.32, ALogP 1.85, HBA 5, HBD 0, PSA 47.26, QED 0.53