lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1nnc(N/N=C/c2c(Cl)cccc2Cl)n1N.Cl
InChIKey: FROAEKOELGRQCM-OCSIRBNJSA-N
Target: Fructose-bisphosphate aldolase (SINGLE PROTEIN), Giardia intestinalis
UniProt: A8B2U2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]
Measurement: Potency = 22334.2 nM (pChEMBL 4.650000095367432)
Descriptors: MW 285.14, ALogP 2.05, HBA 6, HBD 2, PSA 81.12, QED 0.51
Compound (SMILES): O=C(c1cc(C2CC2)on1)N(C1CCCCC1)C1CCCCC1
InChIKey: NDKGACIWVAOUQH-UHFFFAOYSA-N
Target: Sphingosine 1-phosphate receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95136
Assay: Agonist activity at S1P2 receptor (unknown origin)
Measurement: EC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 316.45, ALogP 4.66, HBA 3, HBD 0, PSA 46.34, QED 0.81
Compound (SMILES): Cc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12
InChIKey: AGYRJOAGMDIFKL-UHFFFAOYSA-N
Target: Lymphokine-activated killer T-cell-originated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96KB5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TOPK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 410.4, ALogP 6.2, HBA 2, HBD 3, PSA 69.81, QED 0.38
Compound (SMILES): COc1ccccc1NS(=O)(=O)c1ccc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)c([N+](=O)[O-])c1
InChIKey: ODHSVNRBECEHHV-VUTHCHCSSA-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 575.65, ALogP 4.94, HBA 10, HBD 2, PSA 143.99, QED 0.15
Compound (SMILES): Nc1ncc(-c2ccncc2)c2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
InChIKey: KKYPRNBBPBRJQX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZL6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKD2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 523.52, ALogP 7.41, HBA 5, HBD 3, PSA 92.93, QED 0.21
Compound (SMILES): CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
InChIKey: HEUSUIRCBWROMH-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 290.37, ALogP 4.4, HBA 2, HBD 2, PSA 57.36, QED 0.55
Compound (SMILES): C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2[nH]1
InChIKey: HHYISWSOJIVYGB-CMDGGOBGSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 272.33, ALogP 1.98, HBA 5, HBD 2, PSA 95.56, QED 0.5
Compound (SMILES): O=C(O)c1ccc(N=N/C(=N\Nc2ccc(C(=O)O)cc2)c2ccccc2)cc1
InChIKey: SDGBZJGBNHNZEV-AJUGEIQBSA-N
Target: Lethal(3)malignant brain tumor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y468
Assay: PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]
Measurement: Potency = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 388.38, ALogP 4.64, HBA 5, HBD 3, PSA 123.71, QED 0.25
Compound (SMILES): O=C(O)c1ccc(N/N=C/c2c(F)cccc2Cl)cc1
InChIKey: KKQXUBPTMRQPBW-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 = 1995.3 nM (pChEMBL 5.699999809265137)
Descriptors: MW 292.7, ALogP 3.62, HBA 3, HBD 2, PSA 61.69, QED 0.67
Compound (SMILES): CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1
InChIKey: RBXYGQNZRVPDNB-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 525.64, ALogP 5.67, HBA 7, HBD 4, PSA 126.96, QED 0.23
Compound (SMILES): COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1COc1c(C)cccc1C
InChIKey: XKCSUIJPIDKDPV-ZMOGYAJESA-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 392.46, ALogP 4.56, HBA 5, HBD 1, PSA 73.06, QED 0.47
Compound (SMILES): C/C(=N\NC(=O)CCCNc1ccc(C)cc1)c1ccccn1
InChIKey: KDHSRBWIYXRIMD-RCCKNPSSSA-N
Target: Beta-lactamase (SINGLE PROTEIN), Escherichia coli K-12
UniProt: P00811
Assay: PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]
Measurement: Potency = 631 nM (pChEMBL 6.199999809265137)
Descriptors: MW 310.4, ALogP 3.12, HBA 4, HBD 2, PSA 66.38, QED 0.47
Compound (SMILES): Cc1n[nH]c2c1C(c1ccccc1Cl)C(C#N)=C(N)O2
InChIKey: GPWYRDPTGJYJNL-UHFFFAOYSA-N
Target: Protein kinase C zeta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCZ
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 286.72, ALogP 2.59, HBA 4, HBD 2, PSA 87.72, QED 0.84
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(NC(=O)c3csc4ncnc(N)c34)cc2)c1
InChIKey: IAKGNUWZPSPEKU-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G3
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 432.51, ALogP 4.79, HBA 6, HBD 4, PSA 122.03, QED 0.37
Compound (SMILES): COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3C)cc2)c1
InChIKey: YPJJSXBVVGPFHA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase BRSK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDC3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KIAA1811
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 346.43, ALogP 4.56, HBA 3, HBD 1, PSA 51.22, QED 0.74
Compound (SMILES): C=C(C)C1CC=C(C)/C(=N\NC(=S)Nc2ccc(C)cc2)C1
InChIKey: JADJHGIDYHYEFB-JZJYNLBNSA-N
Target: Polyunsaturated fatty acid lipoxygenase ALOX12 (SINGLE PROTEIN), Homo sapiens
UniProt: P18054
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) 
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 313.47, ALogP 4.57, HBA 2, HBD 2, PSA 36.42, QED 0.49
Compound (SMILES): CCOC(=O)C/C(C)=N/NC(=O)COc1ccccc1C
InChIKey: BOJUEZURZSYOLY-FOWTUZBSSA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 292.34, ALogP 1.82, HBA 5, HBD 1, PSA 76.99, QED 0.47
Compound (SMILES): CN(C)c1ccc(/C=N/c2ccc(N(C)C)cc2)cc1
InChIKey: KAUNTOUDFKIOEK-QGOAFFKASA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 267.38, ALogP 3.57, HBA 3, HBD 0, PSA 18.84, QED 0.79
Compound (SMILES): Cc1cccc2cc3c(nc12)S/C(=N/CC1CCCO1)N(Cc1ccco1)C3
InChIKey: NWBNUVKWUXHDII-GHVJWSGMSA-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 = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 393.51, ALogP 4.78, HBA 5, HBD 0, PSA 50.86, QED 0.64
Compound (SMILES): Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccccc2)[nH]n1
InChIKey: MVBKUFCOWPEERW-OEAKJJBVSA-N
Target: 4'-phosphopantetheinyl transferase ffp (SINGLE PROTEIN), Bacillus subtilis
UniProt: Q9F4F7
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 384.44, ALogP 3.64, HBA 5, HBD 2, PSA 87.96, QED 0.41
Compound (SMILES): CCN(CC)CCNC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: NOBMKUVHFRVBES-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 = 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 526.69, ALogP 6.04, HBA 5, HBD 3, PSA 91.29, QED 0.25
Compound (SMILES): NC(=O)c1cc(-c2cccc(N)c2)cc2cccnc12
InChIKey: CWBWMDSAVFJNAD-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 263.3, ALogP 2.58, HBA 3, HBD 2, PSA 82, QED 0.7
Compound (SMILES): Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
InChIKey: ZCCJKVBTHCOISJ-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 458.52, ALogP 5.73, HBA 6, HBD 3, PSA 97.86, QED 0.32
Compound (SMILES): Nc1noc2cccc(-c3cccc(O)c3)c12
InChIKey: DJRPFIWIDKXORZ-UHFFFAOYSA-N
Target: Lymphokine-activated killer T-cell-originated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96KB5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TOPK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 226.24, ALogP 2.78, HBA 4, HBD 2, PSA 72.28, QED 0.67
Compound (SMILES): CCOC(=O)c1c(C)n(-c2ccc(I)cc2)c2c1cc(O)c1ccccc12
InChIKey: SIHZREZFYCEMBL-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 > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 471.29, ALogP 5.58, HBA 4, HBD 1, PSA 51.46, QED 0.31
Compound (SMILES): O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccncc1
InChIKey: DMFJZTYHTIMPQK-NTUHNPAUSA-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 276.28, ALogP 1.82, HBA 6, HBD 1, PSA 97.49, QED 0.52
Compound (SMILES): NC(=O)C1CCCN(C(=O)c2cc(-c3ccc4[nH]ncc4c3)on2)C1
InChIKey: NYZBKPORWJDPBX-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZL6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKD2
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 339.36, ALogP 1.56, HBA 5, HBD 2, PSA 118.11, QED 0.75
Compound (SMILES): Oc1ccc(Cl)cc1/C=N/c1ccc2c3c(cccc13)CC2
InChIKey: XNNGDKJXBYDDDO-SRZZPIQSSA-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 = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 307.78, ALogP 5.05, HBA 2, HBD 1, PSA 32.59, QED 0.66
Compound (SMILES): C/N=C1/S/C(=C/c2cc(C)n(Cc3ccccc3)c2C)C(=O)N1C
InChIKey: LTAFWGFYLPUWRU-QSAFIDALSA-N
Target: Sphingosine 1-phosphate receptor 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H228
Assay: PUBCHEM_BIOASSAY: Late-stage fluorescence-based dose-response cell-based counterscreen assay to identify agonists of the Sphingosine 1-Phosphate Receptor 4 (S1P4): Sphingosine 1-Phosphate Receptor 5 (S1P5) agonist assay Set 2. (Class of assay: confirmatory) 
Measurement: EC50  144 nM (pChEMBL 6.8420000076293945)
Descriptors: MW 339.46, ALogP 3.69, HBA 4, HBD 0, PSA 37.6, QED 0.8
Compound (SMILES): CCCC/N=C/[C@]12CCC(O)CC1(O)CCC1[C@@H]2CC[C@]2(C)[C@H](C3C=CC(=O)O3)CCC12O
InChIKey: GUUQBVHAKHDDDB-BCJSKJLHSA-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 = 1258.9 nM (pChEMBL 5.900000095367432)
Descriptors: MW 459.63, ALogP 3.57, HBA 6, HBD 3, PSA 99.35, QED 0.33
Compound (SMILES): Oc1c(/C=N/Cc2ccccc2)sc2ccccc12
InChIKey: XIVNKPOLXNAXIS-GZTJUZNOSA-N
Target: Polyadenylate-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11940
Assay: PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) 
Measurement: IC50 > 66000 nM (pChEMBL 4.179999828338623)
Descriptors: MW 267.35, ALogP 4.23, HBA 3, HBD 1, PSA 32.59, QED 0.71
Compound (SMILES): C/C(=N\NC(=S)NCc1ccccc1)c1ccccc1
InChIKey: NCVZOCOQNAWJGU-QGOAFFKASA-N
Target: Polyunsaturated fatty acid lipoxygenase ALOX12 (SINGLE PROTEIN), Homo sapiens
UniProt: P18054
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) 
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 283.4, ALogP 3.07, HBA 2, HBD 2, PSA 36.42, QED 0.51
Compound (SMILES): C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(C)o2)cc1
InChIKey: ZWLZMDAILFCXRX-UCQKPKSFSA-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 476.35, ALogP 4.31, HBA 5, HBD 2, PSA 100.77, QED 0.41
Compound (SMILES): O=C1C(/C=N/c2ccccc2)=C(O)c2ccccc21
InChIKey: YCFPANWURAKUJX-LICLKQGHSA-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 = 3548.1 nM (pChEMBL 5.449999809265137)
Descriptors: MW 249.27, ALogP 3.55, HBA 3, HBD 1, PSA 49.66, QED 0.83
Compound (SMILES): CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/O)=C1Cl
InChIKey: PFXYKKOYWRMWQO-REZTVBANSA-N
Target: DNA dC->dU-editing enzyme APOBEC-3A (SINGLE PROTEIN), Homo sapiens
UniProt: P31941
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deaminase Inhibitors via a fluorescence-based single-stranded DNA deaminase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493011, AID493024]
Measurement: IC50 = 4970 nM (pChEMBL 5.300000190734863)
Descriptors: MW 305.72, ALogP 3.37, HBA 5, HBD 1, PSA 72.03, QED 0.38
Compound (SMILES): COc1cc(C=C2SC(=Nc3ccccc3)NC2=O)ccc1O
InChIKey: JOIUJUJSHIHBDT-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P78368
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G2
Measurement: Ki = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 326.38, ALogP 3.29, HBA 5, HBD 2, PSA 70.92, QED 0.85
Compound (SMILES): Cc1ccc(C(=O)O/N=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1
InChIKey: PHEIYWQHQKDHRK-STZFKDTASA-N
Target: Cytochrome P450 1A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P05177
Assay: PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active
Measurement: AC50 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 367.41, ALogP 4.08, HBA 6, HBD 0, PSA 85.04, QED 0.34
Compound (SMILES): COC(=O)c1c(C)[nH]c(/C=N/Nc2ccccc2)c1C
InChIKey: PVPJCMLZEPSVTK-CXUHLZMHSA-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 = 50118.7 nM (pChEMBL 4.300000190734863)
Descriptors: MW 271.32, ALogP 2.86, HBA 4, HBD 2, PSA 66.48, QED 0.51
Compound (SMILES): C/C(=N\CCc1c(C)[nH]c2ccc(C)cc12)C1=C(O)CC(c2ccccc2)CC1=O
InChIKey: WRPZWELUCYDNAT-OVVQPSECSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 400.52, ALogP 5.75, HBA 3, HBD 2, PSA 65.45, QED 0.54
Compound (SMILES): CN1CCc2c(sc(/N=C/c3cccs3)c2C(N)=O)C1
InChIKey: GBBISPGLYCOVSQ-FRKPEAEDSA-N
Target: Fructose-bisphosphate aldolase (SINGLE PROTEIN), Giardia intestinalis
UniProt: A8B2U2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]
Measurement: Potency = 15811.4 nM (pChEMBL 4.800000190734863)
Descriptors: MW 305.43, ALogP 2.65, HBA 5, HBD 1, PSA 58.69, QED 0.89
Compound (SMILES): O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1sc2ccccc2c1Cl
InChIKey: HBEJBLJIPRNDCH-FRKPEAEDSA-N
Target: Alkaline phosphatase, germ cell type (SINGLE PROTEIN), Homo sapiens
UniProt: P10696
Assay: PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intestinal Alkaline Phosphatase using Placental Alkaline Phosphatase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2805, AID2817]
Measurement: EC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 349.76, ALogP 3.82, HBA 6, HBD 1, PSA 97.74, QED 0.44
Compound (SMILES): Cc1ccc(S(=O)(=O)N/N=C/c2ccc(O)c(O)c2)cc1[N+](=O)[O-]
InChIKey: QRDYBYWRCSIWEK-OVCLIPMQSA-N
Target: Pyruvate kinase PKM (SINGLE PROTEIN), Homo sapiens
UniProt: P14618
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) 
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 351.34, ALogP 1.63, HBA 7, HBD 3, PSA 142.13, QED 0.32
Compound (SMILES): COC(=O)c1cc(=O)n(CCc2ccc(OC)c(OC)c2)/c(=N/c2ccc(F)c(Cl)c2)s1
InChIKey: AAQDRYUEKSPOSR-LVWGJNHUSA-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 = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 478.93, ALogP 3.98, HBA 8, HBD 0, PSA 79.12, QED 0.48
Compound (SMILES): Cc1ccc(/C=N/NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)o1
InChIKey: CKXMFNMWIIFQLD-MHWRWJLKSA-N
Target: Neuropeptide S receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q6W5P4
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 366.47, ALogP 2.16, HBA 5, HBD 2, PSA 86.94, QED 0.48
Compound (SMILES): CCOc1ccc(N(CC(=O)N/N=C/c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIKey: WWDIFGGEPQBRQB-MFKUBSTISA-N
Target: Fatty acid synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P49327
Assay: PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) 
Measurement: IC50  5790 nM (pChEMBL 5.236999988555908)
Descriptors: MW 472.95, ALogP 3.48, HBA 6, HBD 1, PSA 100.96, QED 0.38
Compound (SMILES): O=C(NCc1ccc(Br)cc1)Nc1ccc2[nH]ncc2c1
InChIKey: NPLQZQGAZAUUTB-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G3
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 345.2, ALogP 3.65, HBA 2, HBD 3, PSA 69.81, QED 0.68
Compound (SMILES): COc1ccc(/C=c2\s/c(=C/C(=O)c3ccc(C)cc3)[nH]c2=O)c(OC)c1
InChIKey: IYFCEXUDZMHBDM-QTDXWWPOSA-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 381.45, ALogP 2.25, HBA 5, HBD 1, PSA 68.39, QED 0.69
Compound (SMILES): Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccccc2Cl)c1SCc1ccc(Cl)cc1
InChIKey: OLTVILGVIQGPSA-NSKAYECMSA-N
Target: Cytochrome P450 1A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P05177
Assay: PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active
Measurement: AC50 = 2818.38 nM (pChEMBL 5.550000190734863)
Descriptors: MW 488.32, ALogP 6.23, HBA 6, HBD 0, PSA 56.48, QED 0.18
Compound (SMILES): CCCOc1nc(NC(C)=O)cc(N)c1C#N
InChIKey: KCHJYXDFJPRQHV-UHFFFAOYSA-N
Target: Lymphokine-activated killer T-cell-originated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96KB5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TOPK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 234.26, ALogP 1.28, HBA 5, HBD 2, PSA 101.03, QED 0.82
Compound (SMILES): Cc1cc(-c2ccccc2)nc(N/N=C/c2ccccc2F)n1
InChIKey: HOIYCSJGKHKICH-UDWIEESQSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 306.34, ALogP 4.04, HBA 4, HBD 1, PSA 50.17, QED 0.58
Compound (SMILES): Cc1cc(N/N=C/c2ccc3c(c2)OCO3)nc2ccccc12
InChIKey: HYJKGOWURZPDCY-VXLYETTFSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 305.34, ALogP 3.72, HBA 5, HBD 1, PSA 55.74, QED 0.59
Compound (SMILES): CCOC(=O)C(CC)/C(C)=N\NC(=O)c1cccc(C)c1
InChIKey: XPNZNPZITSTAKW-ATVHPVEESA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 290.36, ALogP 2.69, HBA 4, HBD 1, PSA 67.76, QED 0.5
Compound (SMILES): CC(C)C/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3
InChIKey: YOUNXHCNCOLWFQ-GIJQJNRQSA-N
Target: Mannose-6-phosphate isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P34949
Assay: PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay using a high concentration of mannose 6-phosphate. (Class of assay: confirmatory) [Related pubchem assays: 1209 ]
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 316.36, ALogP 4, HBA 5, HBD 1, PSA 88.87, QED 0.52
Compound (SMILES): COc1ccc(N/C=C2\C(=O)CCc3c2oc2cc(Cl)c(O)c(Cl)c32)cc1
InChIKey: GOSOFAONCKLXHN-UKTHLTGXSA-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 = 4319 nM (pChEMBL 5.369999885559082)
Descriptors: MW 404.25, ALogP 5.42, HBA 5, HBD 2, PSA 71.7, QED 0.57
Compound (SMILES): COc1cccc2cc(C(=O)Nc3ccc(F)cc3)/c(=N/c3ccc(C(=O)O)cc3)oc12
InChIKey: LUAPITYNGREBDV-VYIQYICTSA-N
Target: Prothrombin (SINGLE PROTEIN), Bos taurus
UniProt: P00735
Assay: PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay. (Class of assay: confirmatory) 
Measurement: IC50 = 21700 nM (pChEMBL 4.659999847412109)
Descriptors: MW 432.41, ALogP 4.76, HBA 5, HBD 2, PSA 101.13, QED 0.47
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4cccnc4)nn12)CCCC3
InChIKey: YRWZRNPWLKELTF-UHFFFAOYSA-N
Target: Megakaryocyte-associated tyrosine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P42679
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MATK
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 323.38, ALogP 2.57, HBA 6, HBD 1, PSA 75.94, QED 0.58
Compound (SMILES): O=C(N/N=C\c1cccc(Cl)c1)c1[nH]nc2c1CCCC2
InChIKey: YAWKUSXSGCSSTJ-MFOYZWKCSA-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 = 707.9 nM (pChEMBL 6.150000095367432)
Descriptors: MW 302.76, ALogP 2.71, HBA 3, HBD 2, PSA 70.14, QED 0.68
Compound (SMILES): COc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c(C(=O)O)c1OC
InChIKey: JJRUBNNGACEDKE-UVHMKAGCSA-N
Target: Aminopeptidase N (SINGLE PROTEIN), Plasmodium falciparum FcB1/Columbia
UniProt: O96935
Assay: PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopeptidase (M1AAP). Inhibition of the rate of hydrolysis of fluorogenic peptide substrate (H-Leu-NHMec). Secondary screen (Class of assay: confirmatory) 
Measurement: IC50 = 65270 nM (pChEMBL 4.179999828338623)
Descriptors: MW 522.36, ALogP 5.08, HBA 5, HBD 3, PSA 113.01, QED 0.23
Compound (SMILES): OCCCCNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1
InChIKey: PTZQSGFNHIVQKV-UHFFFAOYSA-N
Target: Rho-associated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75116
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ROCK2
Measurement: Ki = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 316.79, ALogP 3.46, HBA 4, HBD 3, PSA 73.83, QED 0.48
Compound (SMILES): O=[N+]([O-])c1ccc(/C=N/Nc2ccc3ccccc3c2)o1
InChIKey: WBHGMMGIGFADJW-MHWRWJLKSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 5623.4 nM (pChEMBL 5.25)
Descriptors: MW 281.27, ALogP 3.79, HBA 5, HBD 1, PSA 80.67, QED 0.45
Compound (SMILES): C/C(=N\NC(=O)C(C)n1nc(C)c([N+](=O)[O-])c1C)c1ccccc1O
InChIKey: FVYIRJNUFKLNNC-RQZCQDPDSA-N
Target: Fructose-bisphosphate aldolase (SINGLE PROTEIN), Giardia intestinalis
UniProt: A8B2U2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]
Measurement: Potency = 4456.3 nM (pChEMBL 5.349999904632568)
Descriptors: MW 345.36, ALogP 2.22, HBA 7, HBD 2, PSA 122.65, QED 0.49
Compound (SMILES): O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccccc1NS(=O)(=O)c1cccs1
InChIKey: XCUZAOJYLVPYGX-KEBDBYFISA-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 = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 480.91, ALogP 3.58, HBA 8, HBD 3, PSA 151, QED 0.27
Compound (SMILES): Cc1cc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c2ccccc2n1
InChIKey: WWJRZWVCHVXSED-AWQFTUOYSA-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 = 1584.9 nM (pChEMBL 5.800000190734863)
Descriptors: MW 384.78, ALogP 3.57, HBA 6, HBD 2, PSA 117.72, QED 0.4
Compound (SMILES): Cc1ccc2c(c1)C(=O)Nc1ccccc1N2
InChIKey: XHFZDCLANHHVOK-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00444
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PLK4
Measurement: Ki > 25118.86 nM (pChEMBL 4.599999904632568)
Descriptors: MW 224.26, ALogP 3.3, HBA 2, HBD 2, PSA 41.13, QED 0.72
Compound (SMILES): COc1cc(-c2nn(C3CCC(N4CCN(C(C)=O)CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
InChIKey: ZMNWFTYYYCSSTF-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 621.75, ALogP 4.48, HBA 10, HBD 2, PSA 136.43, QED 0.28
Compound (SMILES): COc1ccc2c(Cl)c(C(=O)N/N=C3\CCCC(=O)C3)sc2c1
InChIKey: DEJRATUMDPFTIQ-GIJQJNRQSA-N
Target: Insulin-degrading enzyme (SINGLE PROTEIN), Homo sapiens
UniProt: P14735
Assay: PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high throughput dose response assay for inhibitors of insulin-degrading enzyme (IDE). (Class of assay: confirmatory) [Related pubchem assays: 434962 (Primary screen (IDE inhibitors in singlicate)), 449730 (Counterscreen (Cytotoxicity in triplicate)), 435028 (Confirmation (IDE inhibitors in triplicate)), 434984 (Summary (IDE inhibitors))]
Measurement: IC50 > 55931 nM (pChEMBL 4.251999855041504)
Descriptors: MW 350.83, ALogP 3.79, HBA 5, HBD 1, PSA 67.76, QED 0.86
Compound (SMILES): Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc12
InChIKey: YWTBGJGMTBHQTM-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase BRSK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDC3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KIAA1811
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 397.48, ALogP 4.36, HBA 4, HBD 3, PSA 92.61, QED 0.4
Compound (SMILES): C/C(CC(=O)Nc1cc(C)ccn1)=N\NC(=O)c1ccccc1C
InChIKey: LGHRBSJCBKRSSJ-KGENOOAVSA-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 324.38, ALogP 2.83, HBA 4, HBD 2, PSA 83.45, QED 0.66
Compound (SMILES): CCCC(=O)Nc1nn(C(=O)CC)c2nc3ccccc3cc12
InChIKey: BHGSKYNWCFIOHP-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G3
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 310.36, ALogP 3.37, HBA 5, HBD 1, PSA 76.88, QED 0.8
Compound (SMILES): C/C(=N\NC(=S)NCc1ccccc1)c1ccc2ccccc2c1
InChIKey: IOCCMLDPNDBVDE-PXLXIMEGSA-N
Target: Survival motor neuron protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q16637
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 333.46, ALogP 4.23, HBA 2, HBD 2, PSA 36.42, QED 0.43
Compound (SMILES): COc1ccc(CNC(=S)N/N=C/c2ccc(O)c(OC)c2)cc1
InChIKey: HABWHUDXHLRKMI-YBFXNURJSA-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 345.42, ALogP 2.41, HBA 5, HBD 3, PSA 75.11, QED 0.42
Compound (SMILES): Clc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1
InChIKey: XENULQMMYLDKJI-RGVLZGJSSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 1995.3 nM (pChEMBL 5.699999809265137)
Descriptors: MW 305.77, ALogP 4.51, HBA 3, HBD 1, PSA 36.75, QED 0.55
Compound (SMILES): O=C(O)c1ccccc1Nc1ccnc(NCc2cccc(O)c2)n1
InChIKey: IIPNDDKGCRHLKT-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 = 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 336.35, ALogP 3.24, HBA 6, HBD 4, PSA 107.37, QED 0.55
Compound (SMILES): CNC(=S)N/N=C(\C)c1ccc(Cl)s1
InChIKey: BAAWUZZXACHEIK-VZUCSPMQSA-N
Target: Neuropeptide S receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q6W5P4
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) 
Measurement: Potency = 7943.3 nM (pChEMBL 5.099999904632568)
Descriptors: MW 247.78, ALogP 2.22, HBA 3, HBD 2, PSA 36.42, QED 0.48
Compound (SMILES): CC/C(C)=N\Nc1nc(-c2cc3cc(OC)ccc3oc2=O)cs1
InChIKey: WIMWBXDBKITLFN-GRSHGNNSSA-N
Target: NPC intracellular cholesterol transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15118
Assay: PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) 
Measurement: Potency = 2511.9 nM (pChEMBL 5.599999904632568)
Descriptors: MW 343.41, ALogP 4.12, HBA 7, HBD 1, PSA 76.72, QED 0.43
Compound (SMILES): CCOc1cc(/C=N/NC2=NC(=O)C(CC(=O)O)S2)ccc1OCc1ccc(Cl)cc1Cl
InChIKey: KTHJULAPAWMBGF-YSURURNPSA-N
Target: Lysine-specific demethylase 4E (SINGLE PROTEIN), Homo sapiens
UniProt: B2RXH2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) 
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 496.37, ALogP 4.37, HBA 7, HBD 2, PSA 109.58, QED 0.39
Compound (SMILES): NC(=O)c1cc2c(-c3cccc(F)c3)cncc2s1
InChIKey: PJUVRETYCLPAFV-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 272.3, ALogP 3.2, HBA 3, HBD 1, PSA 55.98, QED 0.78
Compound (SMILES): Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C(F)(F)F)c2)c1
InChIKey: JXNMCDLXYWQTIW-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase BRSK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDC3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KIAA1811
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 439.44, ALogP 5.88, HBA 2, HBD 3, PSA 70.23, QED 0.48
Compound (SMILES): CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(N3CCN(C(C)=O)CC3)ccc2OC)ncc1Br
InChIKey: YADXIKLQVVBNLC-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13131
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKAA1
Measurement: Ki = 100 nM (pChEMBL 7)
Descriptors: MW 590.5, ALogP 3.31, HBA 9, HBD 3, PSA 128.79, QED 0.36
Compound (SMILES): COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1O
InChIKey: RVYREKHUEYUDRF-AFUMVMLFSA-N
Target: Envelope glycoprotein gp160 (SINGLE PROTEIN), Human immunodeficiency virus 1
UniProt: Q6QLK5
Assay: PUBCHEM_BIOASSAY: uHTS fluorescence assay for the identification of Human Immunodeficiency Virus Fusion Inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1991, AID434967]
Measurement: IC50 = 30300 nM (pChEMBL 4.519999980926514)
Descriptors: MW 442.43, ALogP 4.29, HBA 7, HBD 2, PSA 126.95, QED 0.26
Compound (SMILES): CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1
InChIKey: UYUUPJTVOGKWJA-NLRVBDNBSA-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 = 10000 nM (pChEMBL 5)
Descriptors: MW 480.59, ALogP 4.11, HBA 6, HBD 2, PSA 100.1, QED 0.34
Compound (SMILES): Cc1ccc(/N=C/c2cc(Cl)cc(Cl)c2O)nc1
InChIKey: YUVOFHUAXDLFBA-REZTVBANSA-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 = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 281.14, ALogP 4.15, HBA 3, HBD 1, PSA 45.48, QED 0.84
Compound (SMILES): CCOc1ccccc1C(=O)N/N=C/c1cccc2cccnc12
InChIKey: ODTXBCYWFKJSAO-FYJGNVAPSA-N
Target: Fructose-bisphosphate aldolase (SINGLE PROTEIN), Giardia intestinalis
UniProt: A8B2U2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]
Measurement: Potency = 17740.7 nM (pChEMBL 4.75)
Descriptors: MW 319.36, ALogP 3.4, HBA 4, HBD 1, PSA 63.58, QED 0.58
Compound (SMILES): N#CC1=C(N)Oc2cc(O)c(/C=N/c3ccccc3)cc2C1c1ccccc1
InChIKey: FZQXCOOHHUVXQR-VULFUBBASA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 
Measurement: Potency = 1995.3 nM (pChEMBL 5.699999809265137)
Descriptors: MW 367.41, ALogP 4.36, HBA 5, HBD 2, PSA 91.63, QED 0.67
Compound (SMILES): C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)nc(N2CCN(C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n3cc(C[C@@H](C)CC)nn3)CC2)n1
InChIKey: UIZOYKBALIHNJF-MODPYIGGSA-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 = 7102 nM (pChEMBL 5.150000095367432)
Descriptors: MW 1301.83
Compound (SMILES): CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OCC(=O)O)c(Cl)c3)c(=O)n2C1c1cccc(OC)c1
InChIKey: PRKYYRSNDWFECB-UHFFFAOYSA-N
Target: Sentrin-specific protease 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P0U3
Assay: PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the catalytic domain of the SUMO protease, SENP1 in a FRET assay. (Class of assay: confirmatory) 
Measurement: IC50  12800 nM (pChEMBL 4.89300012588501)
Descriptors: MW 577.44, ALogP 3.58, HBA 9, HBD 1, PSA 116.42, QED 0.41
Compound (SMILES): O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2)C1
InChIKey: MMSSKRQVKABMNA-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 365.35, ALogP 3.8, HBA 3, HBD 1, PSA 49.77, QED 0.85
Compound (SMILES): Cc1cccc(NC(=O)Nc2ccc(-c3cccc(C(N)=O)c3)cc2)c1
InChIKey: XNLJDUXNZQBRSE-UHFFFAOYSA-N
Target: Lymphokine-activated killer T-cell-originated protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96KB5
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TOPK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 345.4, ALogP 4.4, HBA 2, HBD 3, PSA 84.22, QED 0.65
Compound (SMILES): O=C(O)c1ccc(N/N=C/c2ccc3c(c2)OCO3)cc1
InChIKey: UQWKEMMXLQFRRL-LZYBPNLTSA-N
Target: Luciferin 4-monooxygenase (SINGLE PROTEIN), Photinus pyralis
UniProt: P08659
Assay: PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)]
Measurement: EC50 < 88 nM (pChEMBL 7.056000232696533)
Descriptors: MW 284.27, ALogP 2.56, HBA 5, HBD 2, PSA 80.15, QED 0.67
Compound (SMILES): O=C(N/N=C/c1cc(Cl)ccc1O)c1cccnc1
InChIKey: WZSCOZWXTCWXQN-LZYBPNLTSA-N
Target: Nonstructural protein 1 (SINGLE PROTEIN), Influenza A virus
UniProt: Q194T2
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 
Measurement: Potency = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 275.7, ALogP 2.2, HBA 4, HBD 2, PSA 74.58, QED 0.67
Compound (SMILES): Cc1nccn2c(-c3ccnc(NCC(C)(C)C(=O)O)n3)c(-c3ccc(F)cc3F)nc12
InChIKey: FXGYCYAFWHJUAS-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M4
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G3
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 438.44, ALogP 3.96, HBA 7, HBD 2, PSA 105.3, QED 0.47
Compound (SMILES): CCCCCCOc1ccc(/C(C)=N/NC2=NCCN2)cc1
InChIKey: XJECEHJPTJMFPN-XSFVSMFZSA-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 = 56234.1 nM (pChEMBL 4.25)
Descriptors: MW 302.42, ALogP 2.92, HBA 5, HBD 2, PSA 58.01, QED 0.44
Compound (SMILES): Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2n1C
InChIKey: UNMJCNZWCWDKOU-CIAFOILYSA-N
Target: Glucose-6-phosphate 1-dehydrogenase (SINGLE PROTEIN), Homo sapiens
UniProt: P11413
Assay: PUBCHEM_BIOASSAY: Human Glucose-6-Phosphate Dehydrogenase Dose Response Selectivity Assay for Inhibitors of Plasmodium falciparum Glucose-6-Phosphate Dehydrogenase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504690, AID504696]
Measurement: IC50 > 80000 nM (pChEMBL 4.0970001220703125)
Descriptors: MW 364.84, ALogP 4.17, HBA 6, HBD 1, PSA 60.03, QED 0.44
Compound (SMILES): CC(C)(CNc1cc(-c2c[nH]c3ncccc23)cc(Cl)n1)CNS(C)(=O)=O
InChIKey: HSMUWLLZAZCLHF-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 407.93, ALogP 3.27, HBA 5, HBD 3, PSA 99.77, QED 0.52
Compound (SMILES): O=C(/C=C/c1cccnc1)/C=C/c1cccnc1
InChIKey: UWILVEPRHIRCJK-KQQUZDAGSA-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 = 3162.3 nM (pChEMBL 5.5)
Descriptors: MW 236.27, ALogP 2.77, HBA 3, HBD 0, PSA 42.85, QED 0.77
Compound (SMILES): Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1
InChIKey: MGNQNQOSSLCUFP-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13131
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKAA1
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 378.41, ALogP 3.35, HBA 7, HBD 2, PSA 80.28, QED 0.57
Compound (SMILES): CC(C)C(CO)NC(=O)c1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)c1
InChIKey: LHLBQSAMDHYBJT-UHFFFAOYSA-N
Target: Macrophage-stimulating protein receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q04912
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MST1R
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 513.64, ALogP 5.71, HBA 5, HBD 4, PSA 108.28, QED 0.25
Compound (SMILES): O=CN(O)C(CS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)c1ccc(O)cc1
InChIKey: MVIVBJWGKGBVNA-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 465.45, ALogP 4.44, HBA 5, HBD 2, PSA 94.91, QED 0.31
Compound (SMILES): CCCc1ccc(O)c(/N=C/c2cc(Br)cc(OCC)c2O)c1
InChIKey: HWLFDDRFXCAIFS-RGVLZGJSSA-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 = 15848.9 nM (pChEMBL 4.800000190734863)
Descriptors: MW 378.27, ALogP 4.96, HBA 4, HBD 2, PSA 62.05, QED 0.7
Compound (SMILES): CN1CCN(c2cccc(Nc3nccc(-c4c(C(N)=O)nc5ccccn45)n3)c2)CC1
InChIKey: NPJROAJIXPVMTE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase BRSK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDC3
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KIAA1811
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 428.5, ALogP 2.39, HBA 8, HBD 2, PSA 104.68, QED 0.5
Compound (SMILES): CCN(CC)c1ccc(/C=N/NC(=O)c2ccco2)cc1
InChIKey: NUFJVJRIKWMAHU-SFQUDFHCSA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 285.35, ALogP 2.89, HBA 4, HBD 1, PSA 57.84, QED 0.66
Compound (SMILES): COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=NO)c2ccccc2-3)c1
InChIKey: BNFUMIPEQQICKC-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 > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 380.43, ALogP 3.7, HBA 5, HBD 2, PSA 87.99, QED 0.42
Compound (SMILES): CCOc1ccc(C=C2SC(=N)NC2=O)c(O)c1
InChIKey: RRAMBEGOYIJQHY-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UQM7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2A
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 264.31, ALogP 1.93, HBA 5, HBD 3, PSA 82.41, QED 0.73