lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1
InChIKey: NFMGZVPRGVERNN-UHFFFAOYSA-N
Target: cGMP-dependent protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13237
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKG2
Measurement: Ki = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 585.69, ALogP 6.57, HBA 8, HBD 2, PSA 104.52, QED 0.21
Compound (SMILES): COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC
InChIKey: MHEQZGILOSVPBZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AXL
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 388.22, ALogP 3.81, HBA 5, HBD 0, PSA 57.12, QED 0.59
Compound (SMILES): COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1
InChIKey: IATCOYWEZCHKTF-ZVHZXABRSA-N
Target: SUMO-activating enzyme (PROTEIN COMPLEX), Homo sapiens
UniProt: Q9UBE0
Assay: PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of SUMOylation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2006, AID2011, AID2069, AID2614, AID2658]
Measurement: IC50 = 16370 nM (pChEMBL 4.789999961853027)
Descriptors: MW 419.44, ALogP 3.18, HBA 6, HBD 3, PSA 109.25, QED 0.38
Compound (SMILES): CC(/C=C/c1ccc(N(C)C)cc1)=N\NC1=NC(=O)CC(C(=O)Nc2ccccc2)S1
InChIKey: LXJDVBHBNQEQDG-VRESTWFCSA-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 = 50118.7 nM (pChEMBL 4.300000190734863)
Descriptors: MW 435.55, ALogP 3.76, HBA 6, HBD 2, PSA 86.16, QED 0.53
Compound (SMILES): O=C1Nn2c(nc3c(c2=O)CCCC3)/C1=N/Nc1cccc(Cl)c1
InChIKey: JHQIYLXGJPKKCX-MOSHPQCFSA-N
Target: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZU7
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120]
Measurement: IC50 = 5320 nM (pChEMBL 5.269999980926514)
Descriptors: MW 343.77, ALogP 1.68, HBA 6, HBD 2, PSA 88.38, QED 0.81
Compound (SMILES): O=C(O)c1cccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c1
InChIKey: IHXPBZYKWITPFM-WOJGMQOQSA-N
Target: Dual specificity protein phosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51452
Assay: PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit VHR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1654, AID1661, AID1957, AID1958, AID1992, AID2004, AID2070, AID2074, AID2684, AID488861]
Measurement: IC50 = 2270 nM (pChEMBL 5.639999866485596)
Descriptors: MW 388.4, ALogP 3.42, HBA 6, HBD 1, PSA 84.81, QED 0.51
Compound (SMILES): CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1
InChIKey: KBRJIBFRLFVYJL-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRC
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 299.37, ALogP 2.8, HBA 5, HBD 2, PSA 71.09, QED 0.83
Compound (SMILES): Oc1ccc(/C=N/N2CCOCC2)c(O)c1O
InChIKey: QMKCXPQTYPNSFR-KPKJPENVSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 238.24, ALogP 0.47, HBA 6, HBD 3, PSA 85.52, QED 0.51
Compound (SMILES): O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1
InChIKey: GQHSVFWCNBWKGM-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P17612
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 399.42, ALogP 4.13, HBA 5, HBD 2, PSA 66.89, QED 0.54
Compound (SMILES): OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: OUJZYQBEFNDJQN-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase TBK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHD2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TBK1
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 343.82, ALogP 3.39, HBA 5, HBD 3, PSA 86.72, QED 0.63
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: WYBGYJNIKOAPQI-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 > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 424.46, ALogP 3.87, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): Cc1cccc(OCC(=O)N/N=C/C=C/c2ccco2)c1
InChIKey: YQULLBPZWJRWGT-JDKJHHCNSA-N
Target: Lethal(3)malignant brain tumor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y468
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 284.32, ALogP 2.78, HBA 4, HBD 1, PSA 63.83, QED 0.66
Compound (SMILES): CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12
InChIKey: KNVOICXEDILAGT-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 479.58, ALogP 4.45, HBA 5, HBD 2, PSA 83.14, QED 0.33
Compound (SMILES): CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1
InChIKey: USHMNZBDAOGLMB-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P17612
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 746.89, ALogP 1.02, HBA 10, HBD 16, PSA 379.3, QED 0.05
Compound (SMILES): CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21
InChIKey: UIRCQOKSJDLYBB-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit PRKX (SINGLE PROTEIN), Homo sapiens
UniProt: P51817
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKX
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 301.39, ALogP 4.11, HBA 3, HBD 2, PSA 55.28, QED 0.66
Compound (SMILES): O=[N+]([O-])c1ccc(/C=N/c2cccc3ccccc23)s1
InChIKey: RIZQIHSQTLYUGA-MHWRWJLKSA-N
Target: Lethal(3)malignant brain tumor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y468
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]
Measurement: Potency = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 282.32, ALogP 4.56, HBA 4, HBD 0, PSA 55.5, QED 0.4
Compound (SMILES): COc1cccc(/C=N/Nc2nccnc2Cl)c1O
InChIKey: FCFVXKVZBNESFC-FRKPEAEDSA-N
Target: ATP-dependent molecular chaperone HSP82 (SINGLE PROTEIN), Candida albicans (strain WO-1) (Yeast)
UniProt: C4YTQ8
Assay: PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007]
Measurement: EC50 = 1802 nM (pChEMBL 5.739999771118164)
Descriptors: MW 278.7, ALogP 2.29, HBA 6, HBD 2, PSA 79.63, QED 0.66
Compound (SMILES): O=C1NCc2c1cccc2-c1cccs1
InChIKey: GHHHKQJZQNKCCH-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 > 63095.73 nM (pChEMBL 4.199999809265137)
Descriptors: MW 215.28, ALogP 2.66, HBA 2, HBD 1, PSA 29.1, QED 0.78
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1
InChIKey: GUHUQPHEGAYGKK-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 446.53, ALogP 4.38, HBA 7, HBD 2, PSA 88.23, QED 0.42
Compound (SMILES): CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1
InChIKey: XDSJEDLSHAYRNI-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 > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 331.42, ALogP 3.55, HBA 4, HBD 3, PSA 75.51, QED 0.63
Compound (SMILES): NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1
InChIKey: UMULGPSQNQMYNC-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 331.42, ALogP 3.6, HBA 4, HBD 1, PSA 61.03, QED 0.72
Compound (SMILES): Nc1n[nH]c2nc(Cl)sc12
InChIKey: RTPBWIGTGGLQHJ-UHFFFAOYSA-N
Target: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1
Measurement: Ki = 39810.72 nM (pChEMBL 4.400000095367432)
Descriptors: MW 174.62, ALogP 1.25, HBA 4, HBD 2, PSA 67.59, QED 0.63
Compound (SMILES): Cc1ccc(O)c(/N=C/C2=C(O)c3ccccc3C2=O)c1
InChIKey: JJRIQRCVPQBBSO-GIJQJNRQSA-N
Target: Polyunsaturated fatty acid lipoxygenase ALOX15 (SINGLE PROTEIN), Homo sapiens
UniProt: P16050
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) 
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 279.3, ALogP 3.57, HBA 4, HBD 2, PSA 69.89, QED 0.83
Compound (SMILES): Oc1c(Cl)cc(Cl)cc1/C=N/NC(=S)NC1CC2C=CC1C2
InChIKey: ZUCDYGYJQSHVOW-CNHKJKLMSA-N
Target: Streptokinase A (SINGLE PROTEIN), Streptococcus pyogenes serotype M1
UniProt: P10520
Assay: PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Identify Inhibitors of Streptokinase Promotor Activity. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1662 (Primary HTS)]
Measurement: EC50 = 177 nM (pChEMBL 6.75)
Descriptors: MW 356.28, ALogP 3.46, HBA 3, HBD 3, PSA 56.65, QED 0.34
Compound (SMILES): COC(=O)c1cc(=O)n(Cc2ccco2)/c(=N/c2ccc(F)c(Cl)c2)s1
InChIKey: WXULBGZSAOVFFI-JZJYNLBNSA-N
Target: Cellular tumor antigen p53 (SINGLE PROTEIN), Homo sapiens
UniProt: P04637
Assay: PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 394.81, ALogP 3.36, HBA 7, HBD 0, PSA 73.8, QED 0.64
Compound (SMILES): O=C(Nc1cccc(C2Nc3ccc4ccccc4c3C3C=CCC32)c1)c1ccc(F)cc1
InChIKey: ZZIXCHIEESZZDI-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 > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 434.51, ALogP 7.06, HBA 2, HBD 2, PSA 41.13, QED 0.34
Compound (SMILES): CCC1CC(NS(=O)(=O)C2CC2)CC1c1ncc2cnc3[nH]ccc3n12
InChIKey: LUPCHAFIKZSOOK-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 373.48, ALogP 2.56, HBA 5, HBD 2, PSA 92.15, QED 0.72
Compound (SMILES): C=CCOc1ccc(/C=N/Nc2ccccn2)cc1OC
InChIKey: VGONNCRJCGVGLL-LDADJPATSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 283.33, ALogP 3.1, HBA 5, HBD 1, PSA 55.74, QED 0.48
Compound (SMILES): O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCC2=O)c1
InChIKey: LQSARCWOKLSTSM-YBFXNURJSA-N
Target: Nuclear receptor coactivator 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15788
Assay: PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response assay for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1). (Class of assay: confirmatory) 
Measurement: IC50 = 14573 nM (pChEMBL 4.840000152587891)
Descriptors: MW 368.35, ALogP 2.19, HBA 6, HBD 2, PSA 125.14, QED 0.48
Compound (SMILES): COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC
InChIKey: AQKQATGZIKRZMQ-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 407.47, ALogP 4.03, HBA 8, HBD 1, PSA 81.63, QED 0.66
Compound (SMILES): COc1cc(/C=N/NC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)[nH]n2)ccc1O
InChIKey: XCLZRELGPCDKFM-ZMOGYAJESA-N
Target: Lysosomal alpha-glucosidase (SINGLE PROTEIN), Homo sapiens
UniProt: P10253
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]
Measurement: Potency = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 430.47, ALogP 3.36, HBA 7, HBD 3, PSA 117.42, QED 0.32
Compound (SMILES): CCNC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: LPILBMJJRGTKOQ-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 = 6.31 nM (pChEMBL 8.199999809265137)
Descriptors: MW 413.91, ALogP 3.72, HBA 5, HBD 4, PSA 107.62, QED 0.48
Compound (SMILES): O=C(O)c1ccccc1Nc1ncnc(Nc2ccc(F)cc2)n1
InChIKey: IABDKYMGRMDGMM-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit PRKX (SINGLE PROTEIN), Homo sapiens
UniProt: P51817
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKX
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 325.3, ALogP 3.2, HBA 6, HBD 3, PSA 100.03, QED 0.66
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4sncc34)cc2)c1
InChIKey: KHOVFNRAIYTEPO-UHFFFAOYSA-N
Target: RAC-gamma serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y243
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 373.48, ALogP 6.22, HBA 3, HBD 2, PSA 54.02, QED 0.45
Compound (SMILES): CCn1c2ccccc2c2cnc(/N=C/N(C)C)c(C#N)c21
InChIKey: YFCZICHODYUOFU-RGVLZGJSSA-N
Target: Nuclear receptor coactivator 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6Q9
Assay: PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivator 1 (SRC1; NCOA1): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Steroid Receptor Coactivator 3 (SRC3; NCOA3). (Class of assay: confirmatory) 
Measurement: IC50 = 11338 nM (pChEMBL 4.949999809265137)
Descriptors: MW 291.36, ALogP 3.3, HBA 4, HBD 0, PSA 57.21, QED 0.55
Compound (SMILES): CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1
InChIKey: WFTZMAAMCVPJJT-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 430.39, ALogP 4.9, HBA 4, HBD 3, PSA 92.35, QED 0.54
Compound (SMILES): O=c1[nH]cnc2c1oc1ccc(Cl)cc12
InChIKey: QNZJDYVERIAXAI-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 220.62, ALogP 2.32, HBA 3, HBD 1, PSA 58.89, QED 0.63
Compound (SMILES): CCCS(=O)(=O)Nc1ccc(-c2ccc3[nH]nc(N)c3c2)cc1
InChIKey: YKYRQCWLYUTVIE-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 330.41, ALogP 2.96, HBA 4, HBD 3, PSA 100.87, QED 0.67
Compound (SMILES): Clc1ccccc1/C=N/NC1=Nc2cccc3cccc1c23
InChIKey: GWWLAHNKGIJBJK-RGVLZGJSSA-N
Target: E3 ubiquitin-protein ligase Mdm2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00987
Assay: PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [Related pubchem assays: 1444 (E3 Ligase_dose response), 1442 (E3 Ligase_dose response), 1230 (E3 Ligase HTS_1536)]
Measurement: EC50 = 10590 nM (pChEMBL 4.96999979019165)
Descriptors: MW 305.77, ALogP 4.51, HBA 3, HBD 1, PSA 36.75, QED 0.55
Compound (SMILES): CN(C)c1ccc(C(=O)Nc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1
InChIKey: RWKDVIAVTRRJIR-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 = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 437.51, ALogP 4.19, HBA 6, HBD 2, PSA 91.73, QED 0.42
Compound (SMILES): O=C(Nc1cnccn1)Nc1cccc2c(O)cccc12
InChIKey: YGKFZWJWKPZPQM-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O95819
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K4
Measurement: Ki = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 280.29, ALogP 2.98, HBA 4, HBD 3, PSA 87.14, QED 0.67
Compound (SMILES): NC(=S)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1
InChIKey: QXBHVMNLTVALLC-VGOFMYFVSA-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 = 4466.8 nM (pChEMBL 5.349999904632568)
Descriptors: MW 290.3, ALogP 2.02, HBA 5, HBD 2, PSA 106.69, QED 0.39
Compound (SMILES): Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)[nH]n1
InChIKey: NGTFUXJDJXYJLE-LSHDLFTRSA-N
Target: Ras-related protein Rab-9A (SINGLE PROTEIN), Homo sapiens
UniProt: P51151
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 461.7, ALogP 4.12, HBA 5, HBD 2, PSA 96.44, QED 0.26
Compound (SMILES): O=C(CCl)c1c[nH]c(/C=N/Nc2ccc(F)cc2)c1
InChIKey: PQXQYPCWTAHEQX-CAOOACKPSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 279.7, ALogP 3.02, HBA 3, HBD 2, PSA 57.25, QED 0.38
Compound (SMILES): CN(C)c1c(NC(=O)c2c(F)cccc2F)cccc1-c1nc2sccn2c1-c1ccnc(Nc2cccc(N3CCOCC3)c2)n1
InChIKey: SYVFMRBHXSGATD-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fyn (SINGLE PROTEIN), Homo sapiens
UniProt: P06241
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FYN
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 652.73, ALogP 6.7, HBA 10, HBD 2, PSA 99.92, QED 0.19
Compound (SMILES): C=C1C(=O)O[C@@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)C/C(C)=C\C(=O)/C=C(\C)[C@@H]2O
InChIKey: VUURQISRHJCAJY-HVQYRQBMSA-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 = 3981.1 nM (pChEMBL 5.400000095367432)
Descriptors: MW 360.41, ALogP 2.19, HBA 6, HBD 1, PSA 89.9, QED 0.6
Compound (SMILES): COc1ccc(CNc2c(Nc3ccc4[nH]ncc4c3)c(=O)c2=O)cc1
InChIKey: VVQQRUZZQQSDEI-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 348.36, ALogP 2.52, HBA 6, HBD 3, PSA 96.11, QED 0.46
Compound (SMILES): O=C(NN=Cc1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc([N+](=O)[O-])c1
InChIKey: PQRCICYGWACMGJ-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: P53778
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK12
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 407.41, ALogP 3.98, HBA 7, HBD 2, PSA 126.42, QED 0.28
Compound (SMILES): O=C(Cc1ccc(-c2cccnc2)cc1)Nc1ccc(SC(F)F)cc1
InChIKey: WQFGNANQTYLQBP-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 370.42, ALogP 5.24, HBA 3, HBD 1, PSA 41.99, QED 0.6
Compound (SMILES): Nc1ncnc2c1C(=O)NCCN2
InChIKey: SQHVNLMMXFILAH-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 = 25118.86 nM (pChEMBL 4.599999904632568)
Descriptors: MW 179.18, ALogP -0.79, HBA 5, HBD 3, PSA 92.93, QED 0.49
Compound (SMILES): C/C(=N\NC(=O)c1cccc(N/N=C(\C)c2cc(O)ccc2O)c1)c1cc(O)ccc1O
InChIKey: SEHBGEMUSZFVRB-GUJRAXHGSA-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 434.45, ALogP 3.5, HBA 8, HBD 6, PSA 146.77, QED 0.2
Compound (SMILES): Brc1cnc2[nH]cc(-c3ccccc3)c2c1
InChIKey: OADRBDVURCEKRP-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 273.13, ALogP 3.99, HBA 1, HBD 1, PSA 28.68, QED 0.71
Compound (SMILES): c1ccc(-c2n[nH]cc2-c2ccncc2)cc1
InChIKey: VOXXNSOMSGHJJR-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase alpha-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51812
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KA3
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 221.26, ALogP 3.14, HBA 2, HBD 1, PSA 41.57, QED 0.72
Compound (SMILES): O=C(NS(=O)(=O)c1ccc(NCCSc2ccc(O)cc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(F)cc2)cc1
InChIKey: ZQJVVICZLBJUTJ-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P22607
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR3
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 567.62, ALogP 5.43, HBA 8, HBD 3, PSA 138.64, QED 0.1
Compound (SMILES): O=c1[nH]c2ccc(Cl)cc2c2ncnn12
InChIKey: GUMIRECWDDFABT-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02750
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP2K1
Measurement: Ki = 50118.72 nM (pChEMBL 4.300000190734863)
Descriptors: MW 220.62, ALogP 1.22, HBA 4, HBD 1, PSA 63.05, QED 0.62
Compound (SMILES): C=CCn1cc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc21
InChIKey: ZYZHGKLZZMTSTC-AFUMVMLFSA-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 = 22387.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 384.44, ALogP 3.9, HBA 5, HBD 1, PSA 68.51, QED 0.3
Compound (SMILES): CNC(=S)N/N=C/c1ccc(N2CCOCC2)s1
InChIKey: ZDCSFYWSIXXVFZ-MDWZMJQESA-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 = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 284.41, ALogP 1.01, HBA 5, HBD 2, PSA 48.89, QED 0.49
Compound (SMILES): COc1ccc(/N=C2\S/C(=C\c3ccc(OC(C)C(=O)O)c(OC)c3)C(=O)N2CCc2c[nH]c3ccccc23)cc1
InChIKey: HPOHKGREBAHZOG-DQLZYPLSSA-N
Target: Induced myeloid leukemia cell differentiation protein Mcl-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07820
Assay: PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibitors. (Class of assay: confirmatory) [Related pubchem assays: 1022 (Primary screen preceding this dose-response assay.)]
Measurement: IC50 = 7552.13 nM (pChEMBL 5.119999885559082)
Descriptors: MW 571.66, ALogP 5.88, HBA 7, HBD 2, PSA 113.45, QED 0.23
Compound (SMILES): c1ccc(-c2cccc3nccn23)cc1
InChIKey: VBNVOUSYMPNLEN-UHFFFAOYSA-N
Target: Activin receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q04771
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ACVR1
Measurement: Ki = 79432.82 nM (pChEMBL 4.099999904632568)
Descriptors: MW 194.24, ALogP 3, HBA 2, HBD 0, PSA 17.3, QED 0.58
Compound (SMILES): CCOc1ccccc1C=NNC(=O)c1nnn(-c2nonc2N)c1N1CCCC1
InChIKey: WLLUQXGGNFUQGM-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 411.43, ALogP 1, HBA 11, HBD 2, PSA 149.58, QED 0.43
Compound (SMILES): CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4cccc(F)c4F)cc23)CC1
InChIKey: YRVHWCZERXVDLL-UHFFFAOYSA-N
Target: Macrophage colony-stimulating factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P07333
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 429.48, ALogP 2.65, HBA 6, HBD 2, PSA 90.04, QED 0.6
Compound (SMILES): O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NNC(c2ccccc2)C1
InChIKey: WGYAMRMJVUNILQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 399.88, ALogP 5.29, HBA 3, HBD 2, PSA 57.25, QED 0.49
Compound (SMILES): Clc1nnc(N/N=C/c2ccccc2)c2ccccc12
InChIKey: XWEDVIXMINEDLB-LICLKQGHSA-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 = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 282.73, ALogP 3.73, HBA 4, HBD 1, PSA 50.17, QED 0.59
Compound (SMILES): CCOC(=O)Cn1/c(=N/C(=O)c2cccs2)sc2cc(C(=O)OC)ccc21
InChIKey: MKIUSODDVDODKZ-HNENSFHCSA-N
Target: Lethal(3)malignant brain tumor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y468
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]
Measurement: Potency = 1778.3 nM (pChEMBL 5.75)
Descriptors: MW 404.47, ALogP 2.86, HBA 8, HBD 0, PSA 86.96, QED 0.61
Compound (SMILES): OCC(CO)Nc1ncnc2[nH]cc(-c3ccccc3)c12
InChIKey: PSCJSWRVCKUMSL-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 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 284.32, ALogP 1.39, HBA 5, HBD 4, PSA 94.06, QED 0.57
Compound (SMILES): Cc1ccc(Nc2nc3ccc([N+](=O)[O-])cc3[nH]2)nc1
InChIKey: SYLTYCLPHHSEIJ-UHFFFAOYSA-N
Target: Dual specificity mitogen-activated protein kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P36507
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP2K2
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 269.26, ALogP 2.92, HBA 5, HBD 2, PSA 96.74, QED 0.56
Compound (SMILES): C/C(=N\c1ccc(C)cc1)c1sc2ccccc2c1O
InChIKey: IMQYOORYIQDZTK-LDADJPATSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 281.38, ALogP 5.06, HBA 3, HBD 1, PSA 32.59, QED 0.65
Compound (SMILES): Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)s1
InChIKey: IGIZYZMHUYYVJM-CXUHLZMHSA-N
Target: Wee1-like protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P30291
Assay: PUBCHEM_BIOASSAY: Dose Response Cell-based Assay for Inhibitors of Wee1 Degradation. (Class of assay: confirmatory) [Related pubchem assays: 1410, 1321 ]
Measurement: EC50 > 49750 nM (pChEMBL 4.302999973297119)
Descriptors: MW 302.36, ALogP 2.59, HBA 5, HBD 1, PSA 59.92, QED 0.7
Compound (SMILES): CC(=NNC(=N)N)c1cc(NC(=O)NCCCN(C)CCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1
InChIKey: DPRGOXVMSNDADU-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4B4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 775.93, ALogP 0.17, HBA 11, HBD 16, PSA 382.54, QED 0.04
Compound (SMILES): O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cccc(F)c1
InChIKey: QSGQMJVNIWXXLE-CIAFOILYSA-N
Target: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZU7
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120]
Measurement: IC50 = 3553 nM (pChEMBL 5.449999809265137)
Descriptors: MW 368.39, ALogP 3.87, HBA 5, HBD 1, PSA 67.76, QED 0.32
Compound (SMILES): COc1cccc(/C=N/NC(=O)c2ccoc2C)c1O
InChIKey: SJDJKKUWANCWBH-OVCLIPMQSA-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 = 7943.3 nM (pChEMBL 5.099999904632568)
Descriptors: MW 274.28, ALogP 2.07, HBA 5, HBD 2, PSA 84.06, QED 0.66
Compound (SMILES): O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIKey: GVSZOJURNPPDIH-JLPGSUDCSA-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 = 17782.8 nM (pChEMBL 4.75)
Descriptors: MW 437.52, ALogP 3.48, HBA 5, HBD 2, PSA 99.07, QED 0.47
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3ccc4c(c3)OCO4)csc12
InChIKey: JSDGKSMNPHJDFK-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor UFO (SINGLE PROTEIN), Homo sapiens
UniProt: P30530
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AXL
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 353.4, ALogP 3.03, HBA 6, HBD 2, PSA 86.47, QED 0.71
Compound (SMILES): CO/N=C/c1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])c1
InChIKey: YQFLJMQTMJQNLA-ZMOGYAJESA-N
Target: Lysosomal alpha-glucosidase (SINGLE PROTEIN), Homo sapiens
UniProt: P10253
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]
Measurement: Potency = 1258.9 nM (pChEMBL 5.900000095367432)
Descriptors: MW 436.39, ALogP 3.56, HBA 6, HBD 0, PSA 88.28, QED 0.41
Compound (SMILES): Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(F)ccc21
InChIKey: QBKUOOQFSVMDPB-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 345.18, ALogP 4.02, HBA 3, HBD 1, PSA 46.5, QED 0.57
Compound (SMILES): CC(C)C(C)Nc1ncc(Cl)c(Nc2nccs2)n1
InChIKey: OFGKHGRQQKNHAV-UHFFFAOYSA-N
Target: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 297.82, ALogP 3.79, HBA 6, HBD 2, PSA 62.73, QED 0.88
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1ccccc1
InChIKey: JFKIXRTUZAZONT-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 348.79, ALogP 4.53, HBA 3, HBD 2, PSA 70.67, QED 0.53
Compound (SMILES): NS(=O)(=O)c1cccc(Nc2ncc3ccn(Cc4ccccc4)c3n2)c1
InChIKey: AIQDZMUPVYDVLB-UHFFFAOYSA-N
Target: cGMP-dependent protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13237
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKG2
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 379.45, ALogP 2.87, HBA 6, HBD 2, PSA 102.9, QED 0.55
Compound (SMILES): COc1cc(/C=C/c2ccc3c(Br)cc(Br)c(O)c3n2)ccc1O
InChIKey: LJHFHFMKDNYWHI-DUXPYHPUSA-N
Target: Beta Lactamase (SINGLE PROTEIN), Pseudomonas aeruginosa
UniProt: Q932Y6
Assay: PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504734, AID504750, AID540250, AID540251]
Measurement: IC50 = 7680 nM (pChEMBL 5.119999885559082)
Descriptors: MW 451.11, ALogP 5.35, HBA 4, HBD 2, PSA 62.58, QED 0.56
Compound (SMILES): COc1cccc(-c2cc3c(=O)[nH]c4ccccc4n3c2)c1
InChIKey: MQAKXLBEDXFDMV-UHFFFAOYSA-N
Target: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 290.32, ALogP 3.46, HBA 3, HBD 1, PSA 46.5, QED 0.61
Compound (SMILES): Cc1cc(=O)[nH]c2[nH]nc(-c3cccc(C(F)(F)F)c3)c12
InChIKey: BBXIECANPYCIMM-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 > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 293.25, ALogP 3.25, HBA 2, HBD 2, PSA 61.54, QED 0.72
Compound (SMILES): CCCc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])o3)c3ccccc3n2)cc1
InChIKey: XDFLMQUBJVLWBF-MFKUBSTISA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 428.45, ALogP 5.12, HBA 6, HBD 1, PSA 110.63, QED 0.25
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIKey: PTSWSUSIGQQZOO-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZL6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKD2
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 392.44, ALogP 3.42, HBA 7, HBD 2, PSA 88.23, QED 0.52
Compound (SMILES): O=C(Nc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)c1c(F)cccc1F
InChIKey: BBZSEXSOPOXLIQ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 17A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UEE5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK17A
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 384.77, ALogP 4.81, HBA 3, HBD 2, PSA 70.67, QED 0.5
Compound (SMILES): O=C(N/N=C/c1ccncc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIKey: KGKQERXOCXSQFN-LPYMAVHISA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P51449
Assay: PubChem BioAssay. Dose response orthogonal assay of uHTS small molecule inhibitors of Striatal-Enriched Phosphatase via a colorimetric intensity assay. (Class of assay: confirmatory) 
Measurement: IC50  19700 nM (pChEMBL 4.705999851226807)
Descriptors: MW 414.87, ALogP 3.3, HBA 5, HBD 2, PSA 100.52, QED 0.48
Compound (SMILES): O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1
InChIKey: NFMGZVPRGVERNN-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 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 585.69, ALogP 6.57, HBA 8, HBD 2, PSA 104.52, QED 0.21
Compound (SMILES): COc1ccc(C=C2C(=O)ON=C2c2ccc(Br)cc2)cc1OC
InChIKey: MHEQZGILOSVPBZ-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 388.22, ALogP 3.81, HBA 5, HBD 0, PSA 57.12, QED 0.59
Compound (SMILES): COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCC(=O)Nc1ccccc1
InChIKey: IATCOYWEZCHKTF-ZVHZXABRSA-N
Target: Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZU7
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120]
Measurement: IC50 = 5460 nM (pChEMBL 5.260000228881836)
Descriptors: MW 419.44, ALogP 3.18, HBA 6, HBD 3, PSA 109.25, QED 0.38
Compound (SMILES): CC(/C=C/c1ccc(N(C)C)cc1)=N\NC1=NC(=O)CC(C(=O)Nc2ccccc2)S1
InChIKey: LXJDVBHBNQEQDG-VRESTWFCSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 435.55, ALogP 3.76, HBA 6, HBD 2, PSA 86.16, QED 0.53
Compound (SMILES): O=C(O)c1cccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c1
InChIKey: IHXPBZYKWITPFM-WOJGMQOQSA-N
Target: Apoptotic protease-activating factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14727
Assay: PUBCHEM_BIOASSAY: Dose Response validation of Activators of Apaf-1 using a Fluorescent Interference Counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489031, AID492946]
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 388.4, ALogP 3.42, HBA 6, HBD 1, PSA 84.81, QED 0.51
Compound (SMILES): CC(Nc1c(Nc2ccncc2)c(=O)c1=O)C1CCCCC1
InChIKey: KBRJIBFRLFVYJL-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 > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 299.37, ALogP 2.8, HBA 5, HBD 2, PSA 71.09, QED 0.83
Compound (SMILES): Oc1ccc(/C=N/N2CCOCC2)c(O)c1O
InChIKey: QMKCXPQTYPNSFR-KPKJPENVSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 238.24, ALogP 0.47, HBA 6, HBD 3, PSA 85.52, QED 0.51
Compound (SMILES): O=c1[nH]sc2c1c(=O)c1cc(F)c(NCc3ccccc3)c(F)c1n2C1CC1
InChIKey: GQHSVFWCNBWKGM-UHFFFAOYSA-N
Target: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 399.42, ALogP 4.13, HBA 5, HBD 2, PSA 66.89, QED 0.54
Compound (SMILES): OC1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1
InChIKey: OUJZYQBEFNDJQN-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 > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 343.82, ALogP 3.39, HBA 5, HBD 3, PSA 86.72, QED 0.63
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: WYBGYJNIKOAPQI-UHFFFAOYSA-N
Target: Tyrosine-protein kinase SYK (SINGLE PROTEIN), Homo sapiens
UniProt: P43405
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SYK
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 424.46, ALogP 3.87, HBA 7, HBD 2, PSA 88.23, QED 0.49
Compound (SMILES): Cc1cccc(OCC(=O)N/N=C/C=C/c2ccco2)c1
InChIKey: YQULLBPZWJRWGT-JDKJHHCNSA-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 = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 284.32, ALogP 2.78, HBA 4, HBD 1, PSA 63.83, QED 0.66
Compound (SMILES): CN(C)CC(=O)NC(COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12
InChIKey: KNVOICXEDILAGT-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 479.58, ALogP 4.45, HBA 5, HBD 2, PSA 83.14, QED 0.33
Compound (SMILES): CC(=NNC(=N)N)c1cc(NC(=O)NCCCCCCNC(=O)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)cc(C(C)=NNC(=N)N)c1
InChIKey: USHMNZBDAOGLMB-UHFFFAOYSA-N
Target: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK1
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 746.89, ALogP 1.02, HBA 10, HBD 16, PSA 379.3, QED 0.05
Compound (SMILES): CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21
InChIKey: UIRCQOKSJDLYBB-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 301.39, ALogP 4.11, HBA 3, HBD 2, PSA 55.28, QED 0.66
Compound (SMILES): O=[N+]([O-])c1ccc(/C=N/c2cccc3ccccc23)s1
InChIKey: RIZQIHSQTLYUGA-MHWRWJLKSA-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 = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 282.32, ALogP 4.56, HBA 4, HBD 0, PSA 55.5, QED 0.4
Compound (SMILES): COc1cccc(/C=N/Nc2nccnc2Cl)c1O
InChIKey: FCFVXKVZBNESFC-FRKPEAEDSA-N
Target: Latent membrane protein 1 (SINGLE PROTEIN), Human herpesvirus 4 (strain B95-8)
UniProt: P03230
Assay: PUBCHEM_BIOASSAY: Lymphoblastoid Cells (LCL) Cytotoxicity Secondary Assay Measured in Cell-Based System Using Plate Reader - 2122-03_Inhibitor_Dose_CherryPick_Activity_Set2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586]
Measurement: AC50 = 3862 nM (pChEMBL 5.409999847412109)
Descriptors: MW 278.7, ALogP 2.29, HBA 6, HBD 2, PSA 79.63, QED 0.66
Compound (SMILES): O=C1NCc2c1cccc2-c1cccs1
InChIKey: GHHHKQJZQNKCCH-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 > 79432.82 nM (pChEMBL 4.099999904632568)
Descriptors: MW 215.28, ALogP 2.66, HBA 2, HBD 1, PSA 29.1, QED 0.78
Compound (SMILES): CC(C)(CO)CNc1nccc(-c2c(-c3ccc(F)cc3)nc3c(CC4CC4)nccn23)n1
InChIKey: GUHUQPHEGAYGKK-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 = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 446.53, ALogP 4.38, HBA 7, HBD 2, PSA 88.23, QED 0.42
Compound (SMILES): CCN1c2cc(N)ccc2-c2ccc(N)cc2C1(O)c1ccccc1
InChIKey: XDSJEDLSHAYRNI-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 331.42, ALogP 3.55, HBA 4, HBD 3, PSA 75.51, QED 0.63
Compound (SMILES): NC(COc1cncc(C=Cc2ccncc2)c1)Cc1ccccc1
InChIKey: UMULGPSQNQMYNC-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: P53778
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK12
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 331.42, ALogP 3.6, HBA 4, HBD 1, PSA 61.03, QED 0.72