lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIKey: PBVQJXWLMSSUSI-BRJLIKDPSA-N
Target: Streptokinase A (SINGLE PROTEIN), Streptococcus pyogenes serotype M1
UniProt: P10520
Assay: PUBCHEM_BIOASSAY: Absorbance Microorganism-Based Dose Response HTS to Identify Inhibitors of Streptokinase Expression. (Class of assay: confirmatory) [Related pubchem assays: 1677 (Project Summary), 1902 (Retest at Dose), 1900 (Counter Screen), 1662 (Primary HTS)]
Measurement: EC50 = 20065 nM (pChEMBL 4.699999809265137)
Descriptors: MW 448.47, ALogP 5, HBA 6, HBD 2, PSA 75.61, QED 0.38
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3ccccc3O)ncn2)n1
InChIKey: PEPONRUNOJOGCB-ZMOGYAJESA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 25.1 nM (pChEMBL 7.599999904632568)
Descriptors: MW 370.42, ALogP 3.79, HBA 7, HBD 2, PSA 88.22, QED 0.41
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(F)cc12
InChIKey: AMVPASHAQNNOFN-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 > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 350.28, ALogP 4.43, HBA 3, HBD 2, PSA 66.91, QED 0.67
Compound (SMILES): CN(C)S(=O)(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O
InChIKey: IUKCXNRQUQFXJL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBY8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SGK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 393.47, ALogP 3.91, HBA 4, HBD 2, PSA 78.51, QED 0.71
Compound (SMILES): Oc1ccc(/C=N/Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)c(O)c1
InChIKey: CKIOJDUWQFQBBL-XQNSMLJCSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 425.54, ALogP 3.49, HBA 9, HBD 3, PSA 110, QED 0.49
Compound (SMILES): CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12
InChIKey: PIMQWRZWLQKKBJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 396.5, ALogP 2.28, HBA 7, HBD 2, PSA 92.63, QED 0.47
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-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 = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-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 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O
InChIKey: PJQQRNGGHIVKKV-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 451.44, ALogP 3.88, HBA 7, HBD 2, PSA 131.29, QED 0.45
Compound (SMILES): COc1cccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)c1O
InChIKey: NVWKNYCCCLJTGO-RGVLZGJSSA-N
Target: Orexin/Hypocretin receptor type 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43613
Assay: PUBCHEM_BIOASSAY: Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434989, AID435008, AID463079, AID485270, AID492963, AID492964, AID492965, AID493232, AID504717, AID504718]
Measurement: IC50 = 2912 nM (pChEMBL 5.539999961853027)
Descriptors: MW 350.38, ALogP 3.32, HBA 7, HBD 3, PSA 99.86, QED 0.48
Compound (SMILES): Cc1cc(/C=N/n2c(COc3ccccc3C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1
InChIKey: WSEBZNPOXZUCTA-DHRITJCHSA-N
Target: 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (SINGLE PROTEIN), Homo sapiens
UniProt: P15428
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]
Measurement: Potency = 1000 nM (pChEMBL 6)
Descriptors: MW 444.45, ALogP 4.09, HBA 8, HBD 1, PSA 119.85, QED 0.27
Compound (SMILES): CSc1cnc2c(ccc3cnccc32)c1O
InChIKey: CFBADDSSFSYJPF-UHFFFAOYSA-N
Target: Mast/stem cell growth factor receptor Kit (SINGLE PROTEIN), Homo sapiens
UniProt: P10721
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KIT
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 242.3, ALogP 3.21, HBA 4, HBD 1, PSA 46.01, QED 0.53
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-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 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1
InChIKey: NQUIUZVJXRRJHF-HYARGMPZSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 335.41, ALogP 3.24, HBA 5, HBD 2, PSA 65.54, QED 0.57
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-UHFFFAOYSA-N
Target: Receptor-type tyrosine-protein kinase FLT3 (SINGLE PROTEIN), Homo sapiens
UniProt: P36888
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT3
Measurement: Ki = 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-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 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCCCO)c2)n1
InChIKey: PCJHPHMTYUXSBH-UHFFFAOYSA-N
Target: Death-associated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43293
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 485.59, ALogP 5.08, HBA 5, HBD 4, PSA 108.28, QED 0.27
Compound (SMILES): O=C1CSC(=S)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1
InChIKey: UMJYWCAHEYFAMO-UUILKARUSA-N
Target: RNA-binding protein pos-1 (SINGLE PROTEIN), Caenorhabditis elegans
UniProt: G5EF15
Assay: PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)]
Measurement: EC50 = 18595 nM (pChEMBL 4.730000019073486)
Descriptors: MW 315.76, ALogP 2.44, HBA 6, HBD 0, PSA 75.81, QED 0.37
Compound (SMILES): C#CCn1cc(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21
InChIKey: NPAVTJZLYJPBCP-UDWIEESQSA-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 = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 313.36, ALogP 3.6, HBA 4, HBD 2, PSA 58, QED 0.34
Compound (SMILES): Nc1nc(=O)[nH]c2sccc12
InChIKey: WWKWWGIKNDEUJE-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type 1D (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IU85
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1D
Measurement: Ki = 50118.72 nM (pChEMBL 4.300000190734863)
Descriptors: MW 167.19, ALogP 0.57, HBA 4, HBD 2, PSA 71.77, QED 0.6
Compound (SMILES): O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1cccc(C(F)(F)F)c1
InChIKey: JISZKDFLHFISOW-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 > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 374.32, ALogP 4.1, HBA 3, HBD 3, PSA 86.88, QED 0.65
Compound (SMILES): O=C1NC(=O)C(Nc2ccccc2)=C1Cl
InChIKey: HHZQTBBGRKAUIJ-UHFFFAOYSA-N
Target: Fibroblast growth factor receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11362
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR1
Measurement: Ki > 12589.25 nM (pChEMBL 4.900000095367432)
Descriptors: MW 222.63, ALogP 1.21, HBA 3, HBD 2, PSA 58.2, QED 0.74
Compound (SMILES): Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1
InChIKey: DJOJKIGNNDWGRS-UHFFFAOYSA-N
Target: MAP/microtubule affinity-regulating kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P27448
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK3
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 481.64, ALogP 6.15, HBA 6, HBD 1, PSA 69.2, QED 0.36
Compound (SMILES): C/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc(O)c(O)c1O
InChIKey: DVLVRLUCOKAWQB-HPZLHHMCSA-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 = 7924.5 nM (pChEMBL 5.099999904632568)
Descriptors: MW 359.38, ALogP 2.89, HBA 7, HBD 3, PSA 90.34, QED 0.5
Compound (SMILES): C(=N/NC1=Nc2cccc3cccc1c23)\c1cccnc1
InChIKey: JIMLXYXCMRNIKK-YBFXNURJSA-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 272.31, ALogP 3.25, HBA 4, HBD 1, PSA 49.64, QED 0.57
Compound (SMILES): Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCCn4cccc4)c4[nH]nc(N)c34)cc2)c1
InChIKey: AYXVSCVVQIADBF-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12851
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K2
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 498.56, ALogP 6.17, HBA 5, HBD 4, PSA 109.99, QED 0.19
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): COc1ccc(-c2cnnc(N/N=C/c3ccc(O)c(O)c3)n2)cc1
InChIKey: RITMRJDYCKPQEK-GIJQJNRQSA-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 = 4466.8 nM (pChEMBL 5.349999904632568)
Descriptors: MW 337.34, ALogP 2.4, HBA 8, HBD 3, PSA 112.75, QED 0.37
Compound (SMILES): CNc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12
InChIKey: YNJWXJNPKHJFBE-UHFFFAOYSA-N
Target: Ribosomal protein S6 kinase beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23443
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RPS6KB1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 421.48, ALogP 3.46, HBA 8, HBD 3, PSA 100.26, QED 0.42
Compound (SMILES): CC#Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: JOZIXEURKWTTSA-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 > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 370.33, ALogP 4.66, HBA 3, HBD 2, PSA 66.91, QED 0.64
Compound (SMILES): Oc1ccc(/C=N/Nc2ncnc3c2ncn3Cc2ccccc2)cc1O
InChIKey: FCDDGJOIBPAXKD-NUGSKGIGSA-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 = 14125.4 nM (pChEMBL 4.849999904632568)
Descriptors: MW 360.38, ALogP 2.73, HBA 8, HBD 3, PSA 108.45, QED 0.29
Compound (SMILES): C/C(=N\Nc1nc2ccccc2[nH]1)c1cc2ccccc2o1
InChIKey: WUUOLLZBVMMRJL-RGVLZGJSSA-N
Target: Tyrosyl-DNA phosphodiesterase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NUW8
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) 
Measurement: Potency = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 290.33, ALogP 4.15, HBA 4, HBD 2, PSA 66.21, QED 0.44
Compound (SMILES): CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)n[nH]1
InChIKey: LBVKEEFIPBQIMD-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 391.84, ALogP 4.09, HBA 7, HBD 3, PSA 100.64, QED 0.56
Compound (SMILES): CCCCNc1nc(N)c(C(=O)c2ccccc2)s1
InChIKey: JGBCLJZMLUMHOO-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 > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 275.38, ALogP 3.17, HBA 5, HBD 2, PSA 68.01, QED 0.63
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3sccc3n2)cc1
InChIKey: FTKWFHKMPQIDLM-UHFFFAOYSA-N
Target: LIM domain kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53667
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LIMK1
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 409.44, ALogP 4.55, HBA 6, HBD 3, PSA 78.94, QED 0.53
Compound (SMILES): Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1
InChIKey: URNZTLZSAVLTIZ-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki = 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 245.67, ALogP 2.26, HBA 4, HBD 2, PSA 80.48, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-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 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIKey: PBVQJXWLMSSUSI-BRJLIKDPSA-N
Target: G-protein coupled receptor 35 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HC97
Assay: PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High content imaging assay of the inhibition of receptor-mediated beta-arrestin GFP translocation to cytosolic compartments Secondary Screen (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2079, AID2397, AID2480, AID463201, AID463202, AID463217, AID463227, AID463228, AID488987]
Measurement: IC50 = 2097.14 nM (pChEMBL 5.679999828338623)
Descriptors: MW 448.47, ALogP 5, HBA 6, HBD 2, PSA 75.61, QED 0.38
Compound (SMILES): Cc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3ccccc3O)ncn2)n1
InChIKey: PEPONRUNOJOGCB-ZMOGYAJESA-N
Target: Nuclear receptor ROR-gamma (SINGLE PROTEIN), Mus musculus
UniProt: P51450
Assay: PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 
Measurement: Potency = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 370.42, ALogP 3.79, HBA 7, HBD 2, PSA 88.22, QED 0.41
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(F)cc12
InChIKey: AMVPASHAQNNOFN-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 > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 350.28, ALogP 4.43, HBA 3, HBD 2, PSA 66.91, QED 0.67
Compound (SMILES): CN(C)S(=O)(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O
InChIKey: IUKCXNRQUQFXJL-UHFFFAOYSA-N
Target: MAP/microtubule affinity-regulating kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P27448
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK3
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 393.47, ALogP 3.91, HBA 4, HBD 2, PSA 78.51, QED 0.71
Compound (SMILES): CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12
InChIKey: PIMQWRZWLQKKBJ-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MET
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 396.5, ALogP 2.28, HBA 7, HBD 2, PSA 92.63, QED 0.47
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-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 = 100 nM (pChEMBL 7)
Descriptors: MW 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-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 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12851
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K2
Measurement: Ki = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-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 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O
InChIKey: PJQQRNGGHIVKKV-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13188
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 451.44, ALogP 3.88, HBA 7, HBD 2, PSA 131.29, QED 0.45
Compound (SMILES): COc1cccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)c1O
InChIKey: NVWKNYCCCLJTGO-RGVLZGJSSA-N
Target: Replicative DNA helicase DnaB (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WMR3
Assay: PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950]
Measurement: AC50 = 30140 nM (pChEMBL 4.519999980926514)
Descriptors: MW 350.38, ALogP 3.32, HBA 7, HBD 3, PSA 99.86, QED 0.48
Compound (SMILES): Cc1cc(/C=N/n2c(COc3ccccc3C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1
InChIKey: WSEBZNPOXZUCTA-DHRITJCHSA-N
Target: Inositol monophosphatase 1 (SINGLE PROTEIN), Rattus norvegicus
UniProt: P97697
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) 
Measurement: Potency = 10 nM (pChEMBL 8)
Descriptors: MW 444.45, ALogP 4.09, HBA 8, HBD 1, PSA 119.85, QED 0.27
Compound (SMILES): CSc1cnc2c(ccc3cnccc32)c1O
InChIKey: CFBADDSSFSYJPF-UHFFFAOYSA-N
Target: MAP/microtubule affinity-regulating kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P27448
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MARK3
Measurement: Ki = 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 242.3, ALogP 3.21, HBA 4, HBD 1, PSA 46.01, QED 0.53
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-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 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-UHFFFAOYSA-N
Target: Tyrosine-protein kinase ABL1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00519
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ABL1
Measurement: Ki > 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-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 = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCCCO)c2)n1
InChIKey: PCJHPHMTYUXSBH-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 485.59, ALogP 5.08, HBA 5, HBD 4, PSA 108.28, QED 0.27
Compound (SMILES): C#CCn1cc(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21
InChIKey: NPAVTJZLYJPBCP-UDWIEESQSA-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 313.36, ALogP 3.6, HBA 4, HBD 2, PSA 58, QED 0.34
Compound (SMILES): Nc1nc(=O)[nH]c2sccc12
InChIKey: WWKWWGIKNDEUJE-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET
Measurement: Ki = 25118.86 nM (pChEMBL 4.599999904632568)
Descriptors: MW 167.19, ALogP 0.57, HBA 4, HBD 2, PSA 71.77, QED 0.6
Compound (SMILES): O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1cccc(C(F)(F)F)c1
InChIKey: JISZKDFLHFISOW-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 374.32, ALogP 4.1, HBA 3, HBD 3, PSA 86.88, QED 0.65
Compound (SMILES): O=C1NC(=O)C(Nc2ccccc2)=C1Cl
InChIKey: HHZQTBBGRKAUIJ-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK2
Measurement: Ki > 19952.62 nM (pChEMBL 4.699999809265137)
Descriptors: MW 222.63, ALogP 1.21, HBA 3, HBD 2, PSA 58.2, QED 0.74
Compound (SMILES): Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1
InChIKey: DJOJKIGNNDWGRS-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 > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 481.64, ALogP 6.15, HBA 6, HBD 1, PSA 69.2, QED 0.36
Compound (SMILES): C/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc(O)c(O)c1O
InChIKey: DVLVRLUCOKAWQB-HPZLHHMCSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 359.38, ALogP 2.89, HBA 7, HBD 3, PSA 90.34, QED 0.5
Compound (SMILES): Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCCn4cccc4)c4[nH]nc(N)c34)cc2)c1
InChIKey: AYXVSCVVQIADBF-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P45983
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK8
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 498.56, ALogP 6.17, HBA 5, HBD 4, PSA 109.99, QED 0.19
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-UHFFFAOYSA-N
Target: Phosphorylase b kinase gamma catalytic chain, liver/testis isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P15735
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PHKG2
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): COc1ccc(-c2cnnc(N/N=C/c3ccc(O)c(O)c3)n2)cc1
InChIKey: RITMRJDYCKPQEK-GIJQJNRQSA-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 = 11220.2 nM (pChEMBL 4.949999809265137)
Descriptors: MW 337.34, ALogP 2.4, HBA 8, HBD 3, PSA 112.75, QED 0.37
Compound (SMILES): CNc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12
InChIKey: YNJWXJNPKHJFBE-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13188
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK3
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 421.48, ALogP 3.46, HBA 8, HBD 3, PSA 100.26, QED 0.42
Compound (SMILES): CC#Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: JOZIXEURKWTTSA-UHFFFAOYSA-N
Target: Activated CDC42 kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07912
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ACK1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 370.33, ALogP 4.66, HBA 3, HBD 2, PSA 66.91, QED 0.64
Compound (SMILES): Oc1ccc(/C=N/Nc2ncnc3c2ncn3Cc2ccccc2)cc1O
InChIKey: FCDDGJOIBPAXKD-NUGSKGIGSA-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 = 35481.3 nM (pChEMBL 4.449999809265137)
Descriptors: MW 360.38, ALogP 2.73, HBA 8, HBD 3, PSA 108.45, QED 0.29
Compound (SMILES): C/C(=N\Nc1nc2ccccc2[nH]1)c1cc2ccccc2o1
InChIKey: WUUOLLZBVMMRJL-RGVLZGJSSA-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 = 19952.6 nM (pChEMBL 4.699999809265137)
Descriptors: MW 290.33, ALogP 4.15, HBA 4, HBD 2, PSA 66.21, QED 0.44
Compound (SMILES): CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)n[nH]1
InChIKey: LBVKEEFIPBQIMD-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 = 630.96 nM (pChEMBL 6.199999809265137)
Descriptors: MW 391.84, ALogP 4.09, HBA 7, HBD 3, PSA 100.64, QED 0.56
Compound (SMILES): CCCCNc1nc(N)c(C(=O)c2ccccc2)s1
InChIKey: JGBCLJZMLUMHOO-UHFFFAOYSA-N
Target: Glycogen synthase kinase-3 beta (SINGLE PROTEIN), Homo sapiens
UniProt: P49841
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 275.38, ALogP 3.17, HBA 5, HBD 2, PSA 68.01, QED 0.63
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3sccc3n2)cc1
InChIKey: FTKWFHKMPQIDLM-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 > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 409.44, ALogP 4.55, HBA 6, HBD 3, PSA 78.94, QED 0.53
Compound (SMILES): Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1
InChIKey: URNZTLZSAVLTIZ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D3 (SINGLE PROTEIN), Homo sapiens
UniProt: O94806
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCN
Measurement: Ki = 251.19 nM (pChEMBL 6.599999904632568)
Descriptors: MW 245.67, ALogP 2.26, HBA 4, HBD 2, PSA 80.48, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-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 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(F)cc12
InChIKey: AMVPASHAQNNOFN-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 350.28, ALogP 4.43, HBA 3, HBD 2, PSA 66.91, QED 0.67
Compound (SMILES): CN(C)S(=O)(=O)c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O
InChIKey: IUKCXNRQUQFXJL-UHFFFAOYSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: AKT2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 393.47, ALogP 3.91, HBA 4, HBD 2, PSA 78.51, QED 0.71
Compound (SMILES): CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCCC3CCO)nc12
InChIKey: PIMQWRZWLQKKBJ-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 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 396.5, ALogP 2.28, HBA 7, HBD 2, PSA 92.63, QED 0.47
Compound (SMILES): O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCCC4=O)c3)n2)c1)c1c(F)cccc1F
InChIKey: SRUYMJRFVGLQDV-UHFFFAOYSA-N
Target: Phosphorylase b kinase gamma catalytic chain, liver/testis isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P15735
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PHKG2
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 607.65, ALogP 6.92, HBA 8, HBD 2, PSA 104.52, QED 0.2
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
InChIKey: UJBJWYNPUOLFIZ-UHFFFAOYSA-N
Target: LIM domain kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53667
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LIMK1
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 392.39, ALogP 3.82, HBA 5, HBD 4, PSA 94.73, QED 0.49
Compound (SMILES): CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
InChIKey: KNACLJBHKVSTDL-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51617
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IRAK1
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 380.45, ALogP 4.23, HBA 4, HBD 3, PSA 83.8, QED 0.47
Compound (SMILES): Cc1ccc(C(=O)Nc2c(C#N)sc3ccc(Cl)c(Cl)c23)cc1
InChIKey: ROPVGAMDOWWUTK-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 361.25, ALogP 5.64, HBA 3, HBD 1, PSA 52.89, QED 0.64
Compound (SMILES): CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O
InChIKey: PJQQRNGGHIVKKV-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 451.44, ALogP 3.88, HBA 7, HBD 2, PSA 131.29, QED 0.45
Compound (SMILES): COc1cccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)c1O
InChIKey: NVWKNYCCCLJTGO-RGVLZGJSSA-N
Target: Orexin receptor type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43614
Assay: PUBCHEM_BIOASSAY: Counterscreen assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1): Fluorescence-based cell-based dose response assay for antagonists of the orexin 2 receptor (OX2R; HCRTR2), run by assay provider. (Class of assay: confirmatory) 
Measurement: IC50  11900 nM (pChEMBL 4.923999786376953)
Descriptors: MW 350.38, ALogP 3.32, HBA 7, HBD 3, PSA 99.86, QED 0.48
Compound (SMILES): Cc1cc(/C=N/n2c(COc3ccccc3C)nc3ccccc3c2=O)c(O)c([N+](=O)[O-])c1
InChIKey: WSEBZNPOXZUCTA-DHRITJCHSA-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 Nonpermissive Temperature. (Class of assay: confirmatory) 
Measurement: Potency = 1995.3 nM (pChEMBL 5.699999809265137)
Descriptors: MW 444.45, ALogP 4.09, HBA 8, HBD 1, PSA 119.85, QED 0.27
Compound (SMILES): CSc1cnc2c(ccc3cnccc32)c1O
InChIKey: CFBADDSSFSYJPF-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBY8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SGK
Measurement: Ki = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 242.3, ALogP 3.21, HBA 4, HBD 1, PSA 46.01, QED 0.53
Compound (SMILES): COc1cc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)ccc1O
InChIKey: GCZJQTRRJPRFIP-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 = 25.12 nM (pChEMBL 7.599999904632568)
Descriptors: MW 359.39, ALogP 4.2, HBA 4, HBD 3, PSA 87.24, QED 0.51
Compound (SMILES): CCN(CC)CC#Cc1ccc2c(c1)-c1[nH]nc(-c3ccc(C#N)nc3)c1C2
InChIKey: NLDZIKOJZCTRAZ-UHFFFAOYSA-N
Target: Death-associated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43293
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DAPK3
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 367.46, ALogP 3.61, HBA 4, HBD 1, PSA 68.6, QED 0.56
Compound (SMILES): Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
InChIKey: NHFDRBXTEDBWCZ-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 = 158.49 nM (pChEMBL 6.800000190734863)
Descriptors: MW 310.35, ALogP 3.14, HBA 2, HBD 3, PSA 82.19, QED 0.76
Compound (SMILES): CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCCCO)c2)n1
InChIKey: PCJHPHMTYUXSBH-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 485.59, ALogP 5.08, HBA 5, HBD 4, PSA 108.28, QED 0.27
Compound (SMILES): C#CCn1cc(/C=N/Nc2nc3ccccc3[nH]2)c2ccccc21
InChIKey: NPAVTJZLYJPBCP-UDWIEESQSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 313.36, ALogP 3.6, HBA 4, HBD 2, PSA 58, QED 0.34
Compound (SMILES): Nc1nc(=O)[nH]c2sccc12
InChIKey: WWKWWGIKNDEUJE-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 = 50118.72 nM (pChEMBL 4.300000190734863)
Descriptors: MW 167.19, ALogP 0.57, HBA 4, HBD 2, PSA 71.77, QED 0.6
Compound (SMILES): O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)Nc1cccc(C(F)(F)F)c1
InChIKey: JISZKDFLHFISOW-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 374.32, ALogP 4.1, HBA 3, HBD 3, PSA 86.88, QED 0.65
Compound (SMILES): O=C1NC(=O)C(Nc2ccccc2)=C1Cl
InChIKey: HHZQTBBGRKAUIJ-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O96013
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK4
Measurement: Ki > 12589.25 nM (pChEMBL 4.900000095367432)
Descriptors: MW 222.63, ALogP 1.21, HBA 3, HBD 2, PSA 58.2, QED 0.74
Compound (SMILES): Cc1c(-c2cccc(OCc3ccccc3)c2)c2c(N)ncnc2n1C1CCC(N2CCCC2)CC1
InChIKey: DJOJKIGNNDWGRS-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Sgk2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBY8
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SGK
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 481.64, ALogP 6.15, HBA 6, HBD 1, PSA 69.2, QED 0.36
Compound (SMILES): C/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc(O)c(O)c1O
InChIKey: DVLVRLUCOKAWQB-HPZLHHMCSA-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 = 1676 nM (pChEMBL 5.78000020980835)
Descriptors: MW 359.38, ALogP 2.89, HBA 7, HBD 3, PSA 90.34, QED 0.5
Compound (SMILES): Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccc(OCCCn4cccc4)c4[nH]nc(N)c34)cc2)c1
InChIKey: AYXVSCVVQIADBF-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1
Measurement: Ki > 3981.07 nM (pChEMBL 5.400000095367432)
Descriptors: MW 498.56, ALogP 6.17, HBA 5, HBD 4, PSA 109.99, QED 0.19
Compound (SMILES): CCCOc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIKey: VAMDLIMJLAPZGX-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O95819
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP4K4
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 360.46, ALogP 5.03, HBA 3, HBD 1, PSA 51.22, QED 0.64
Compound (SMILES): COc1ccc(-c2cnnc(N/N=C/c3ccc(O)c(O)c3)n2)cc1
InChIKey: RITMRJDYCKPQEK-GIJQJNRQSA-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 337.34, ALogP 2.4, HBA 8, HBD 3, PSA 112.75, QED 0.37
Compound (SMILES): CNc1nccn2c(-c3ccnc(NCC(C)(C)CO)n3)c(-c3ccc(F)cc3)nc12
InChIKey: YNJWXJNPKHJFBE-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCP0
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1G1
Measurement: Ki > 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 421.48, ALogP 3.46, HBA 8, HBD 3, PSA 100.26, QED 0.42
Compound (SMILES): CC#Cc1ccc2nccc(NC(=O)Nc3cccc(C(F)(F)F)n3)c2c1
InChIKey: JOZIXEURKWTTSA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P35968
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR
Measurement: Ki > 2511.89 nM (pChEMBL 5.599999904632568)
Descriptors: MW 370.33, ALogP 4.66, HBA 3, HBD 2, PSA 66.91, QED 0.64
Compound (SMILES): Oc1ccc(/C=N/Nc2ncnc3c2ncn3Cc2ccccc2)cc1O
InChIKey: FCDDGJOIBPAXKD-NUGSKGIGSA-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 360.38, ALogP 2.73, HBA 8, HBD 3, PSA 108.45, QED 0.29
Compound (SMILES): C/C(=N\Nc1nc2ccccc2[nH]1)c1cc2ccccc2o1
InChIKey: WUUOLLZBVMMRJL-RGVLZGJSSA-N
Target: Cruzipain (SINGLE PROTEIN), Trypanosoma cruzi
UniProt: P25779
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]
Measurement: Potency = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 290.33, ALogP 4.15, HBA 4, HBD 2, PSA 66.21, QED 0.44
Compound (SMILES): CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cn3)ncc2Cl)n[nH]1
InChIKey: LBVKEEFIPBQIMD-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 391.84, ALogP 4.09, HBA 7, HBD 3, PSA 100.64, QED 0.56
Compound (SMILES): CCCCNc1nc(N)c(C(=O)c2ccccc2)s1
InChIKey: JGBCLJZMLUMHOO-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 275.38, ALogP 3.17, HBA 5, HBD 2, PSA 68.01, QED 0.63
Compound (SMILES): CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3sccc3n2)cc1
InChIKey: FTKWFHKMPQIDLM-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 > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 409.44, ALogP 4.55, HBA 6, HBD 3, PSA 78.94, QED 0.53
Compound (SMILES): Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1
InChIKey: URNZTLZSAVLTIZ-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC7
Measurement: Ki = 10 nM (pChEMBL 8)
Descriptors: MW 245.67, ALogP 2.26, HBA 4, HBD 2, PSA 80.48, QED 0.64
Compound (SMILES): O=c1[nH]c2sc3c(c2c2nc(-c4ccccc4)nn12)CCCC3
InChIKey: ZVGVJHARPQUYQS-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 322.39, ALogP 3.18, HBA 5, HBD 1, PSA 63.05, QED 0.59
Compound (SMILES): O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(F)cc12
InChIKey: AMVPASHAQNNOFN-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 350.28, ALogP 4.43, HBA 3, HBD 2, PSA 66.91, QED 0.67