lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cccc(OCC(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCCC5)CC2)c1
InChIKey: GBBFDWPPCQLGGT-UHFFFAOYSA-N
Target: Cannabinoid receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P34972
Assay: PUBCHEM_BIOASSAY: SAR analysis of antagonists of the Cannabinoid Receptor 2 using an Image-Based Assay - Set 3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2013, AID2026]
Measurement: IC50 > 11000 nM (pChEMBL 4.959000110626221)
Descriptors: MW 436.58, ALogP 3.91, HBA 6, HBD 0, PSA 58.56, QED 0.62
Compound (SMILES): CC(C)CCN1C(=O)c2cccc3c(N)ccc(c23)C1=O
InChIKey: RFIVTCCOIOUDON-UHFFFAOYSA-N
Target: UDP-galactopyranose mutase (SINGLE PROTEIN), Mycobacterium tuberculosis
UniProt: P9WIQ1
Assay: PUBCHEM_BIOASSAY: Inhibitors of Mycobacterium tuberculosis UDP-galactopyranose mutase (UGM) enzyme Measured in Biochemical System Using Plate Reader - 2105-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504439]
Measurement: AC50 = 2840 nM (pChEMBL 5.550000190734863)
Descriptors: MW 282.34, ALogP 3.06, HBA 3, HBD 1, PSA 63.4, QED 0.69
Compound (SMILES): Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
InChIKey: XIGZCYHYNKDXDN-UHFFFAOYSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: PUBCHEM_BIOASSAY: SAR analysis of Agonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1786, AID1966, AID2133, AID2136, AID2284, AID2285, AID2359]
Measurement: EC50 = 5210 nM (pChEMBL 5.28000020980835)
Descriptors: MW 362.46, ALogP 4.58, HBA 6, HBD 0, PSA 56.74, QED 0.47
Compound (SMILES): CC(=NNC(=S)Nc1cccc(Cl)c1)c1ccccn1
InChIKey: QJEQNMXYYQUOAY-UHFFFAOYSA-N
Target: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: PUBCHEM_BIOASSAY: HsHsp90 Counterscreen Measured in Microorganism System Using Plate Reader - 2121-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504596]
Measurement: AC50 = 16208 nM (pChEMBL 4.789999961853027)
Descriptors: MW 304.81, ALogP 3.45, HBA 3, HBD 2, PSA 49.31, QED 0.52
Compound (SMILES): O=C1C(=C(I)I)c2ccccc2-c2ccccc21
InChIKey: XROGIZCTZXHJRQ-UHFFFAOYSA-N
Target: Cysteine protease ATG4B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4P1
Assay: PUBCHEM_BIOASSAY: Dose response confirmation of the uHTS fluorescent assay for identification of inhibitors of ATG4B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504462, AID504475]
Measurement: IC50 = 7130 nM (pChEMBL 5.150000095367432)
Descriptors: MW 458.04, ALogP 5.09, HBA 1, HBD 0, PSA 17.07, QED 0.4
Compound (SMILES): C[n+]1c(-c2ccccc2)cc2c(=Cc3ccc([N+](=O)[O-])cc3)c3ccccc3n21.O=S(=O)([O-])C(F)(F)F
InChIKey: RRILKACDATXKOV-UHFFFAOYSA-M
Target: Caspase-6 (SINGLE PROTEIN), Homo sapiens
UniProt: P55212
Assay: PubChem BioAssay. VEID(2) R110 Enzymatic Primary HTS to identify Inhibitors of Caspase 6 Measured in Biochemical System Using Plate Reader - 7052-01_Inhibitor_Dose_CherryPick_Activity.   (Class of assay: confirmatory) 
Measurement: AC50 = 309 nM (pChEMBL 6.510000228881836)
Descriptors: MW 380.43, ALogP 4.04, HBA 3, HBD 0, PSA 51.43, QED 0.27
Compound (SMILES): CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)O)c(OC)c3)c(=O)n2C1c1ccccc1Cl
InChIKey: ZZZCFNBBQNVYLT-YBFXNURJSA-N
Target: Dual specificity protein phosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51452
Assay: PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1654, AID1661, AID1878, AID1992, AID2004, AID2070, AID2085]
Measurement: IC50 = 15100 nM (pChEMBL 4.820000171661377)
Descriptors: MW 577.44, ALogP 3.58, HBA 9, HBD 1, PSA 116.42, QED 0.41
Compound (SMILES): Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc(Br)cc3)C(C)C)cc2)cc1
InChIKey: WXARHUFBCYJOBN-UHFFFAOYSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: Antagonist activity against human kappa opioid receptor expressed in human U2OS cells co-expressing beta-arrestin2 pre-treated for 15 mins before U69,593 stimulation for 90 mins by DiscoveRx beta-arrestin2 recruitment based PathHunter assay
Measurement: IC50 = 937 nM (pChEMBL 6.03000020980835)
Descriptors: MW 558.54, ALogP 4.88, HBA 4, HBD 2, PSA 78.51, QED 0.35
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Huntingtin (SINGLE PROTEIN), Homo sapiens
UniProt: P42858
Assay: PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]
Measurement: Potency = 10000 nM (pChEMBL 5)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1
InChIKey: GRGDWLDSVPJEJU-UHFFFAOYSA-N
Target: Alkaline phosphatase, tissue-nonspecific isozyme (SINGLE PROTEIN), Homo sapiens
UniProt: P05186
Assay: PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1548, AID1574, AID1577, AID1659, AID518]
Measurement: IC50 > 100000 nM (pChEMBL 4)
Descriptors: MW 273.33, ALogP 3.81, HBA 3, HBD 0, PSA 22, QED 0.66
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): COCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12
InChIKey: JSJXZDYLRJZPLA-DHRITJCHSA-N
Target: Cytochrome P450 2C9 (SINGLE PROTEIN), Homo sapiens
UniProt: P11712
Assay: PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active
Measurement: AC50 = 5623.41 nM (pChEMBL 5.25)
Descriptors: MW 403.45, ALogP 2.21, HBA 8, HBD 2, PSA 120.31, QED 0.36
Compound (SMILES): CC(C)CCN1C(=O)c2cccc3c(N)ccc(c23)C1=O
InChIKey: RFIVTCCOIOUDON-UHFFFAOYSA-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 = 4771 nM (pChEMBL 5.320000171661377)
Descriptors: MW 282.34, ALogP 3.06, HBA 3, HBD 1, PSA 63.4, QED 0.69
Compound (SMILES): O=C1C(=C(I)I)c2ccccc2-c2ccccc21
InChIKey: XROGIZCTZXHJRQ-UHFFFAOYSA-N
Target: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: PUBCHEM_BIOASSAY: HsHsp90 Counterscreen Measured in Microorganism System Using Plate Reader - 2121-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504596]
Measurement: AC50 = 5654 nM (pChEMBL 5.25)
Descriptors: MW 458.04, ALogP 5.09, HBA 1, HBD 0, PSA 17.07, QED 0.4
Compound (SMILES): CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Cl)c(OCC(=O)O)c(OC)c3)c(=O)n2C1c1ccccc1Cl
InChIKey: ZZZCFNBBQNVYLT-YBFXNURJSA-N
Target: Dual specificity protein phosphatase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51452
Assay: PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1654, AID1661, AID1878]
Measurement: IC50 = 41100 nM (pChEMBL 4.389999866485596)
Descriptors: MW 577.44, ALogP 3.58, HBA 9, HBD 1, PSA 116.42, QED 0.41
Compound (SMILES): Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc(Br)cc3)C(C)C)cc2)cc1
InChIKey: WXARHUFBCYJOBN-UHFFFAOYSA-N
Target: Mu-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P35372
Assay: PUBCHEM_BIOASSAY: SAR Analysis of Antagonists of the MOR Receptor using an Image-Based Assay - Set 3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1785, AID1786, AID1966, AID2133, AID2136, AID2284, AID2285, AID2420]
Measurement: IC50 > 32000 nM (pChEMBL 4.494999885559082)
Descriptors: MW 558.54, ALogP 4.88, HBA 4, HBD 2, PSA 78.51, QED 0.35
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-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 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1
InChIKey: GRGDWLDSVPJEJU-UHFFFAOYSA-N
Target: Mannose-6-phosphate isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P34949
Assay: PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1209, AID1220, AID1545, AID1553, AID1574, AID1620]
Measurement: IC50 = 1100 nM (pChEMBL 5.960000038146973)
Descriptors: MW 273.33, ALogP 3.81, HBA 3, HBD 0, PSA 22, QED 0.66
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00535
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): COCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12
InChIKey: JSJXZDYLRJZPLA-DHRITJCHSA-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 = 5011.9 nM (pChEMBL 5.300000190734863)
Descriptors: MW 403.45, ALogP 2.21, HBA 8, HBD 2, PSA 120.31, QED 0.36
Compound (SMILES): O=C1C(=C(I)I)c2ccccc2-c2ccccc21
InChIKey: XROGIZCTZXHJRQ-UHFFFAOYSA-N
Target: Rac GTPase-activating protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0H5
Assay: PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) 
Measurement: IC50  19820 nM (pChEMBL 4.703000068664551)
Descriptors: MW 458.04, ALogP 5.09, HBA 1, HBD 0, PSA 17.07, QED 0.4
Compound (SMILES): Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc(Br)cc3)C(C)C)cc2)cc1
InChIKey: WXARHUFBCYJOBN-UHFFFAOYSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the kappa opioid receptor via a luminescent beta-arrestin assay - Set 3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1778, AID1785, AID1786, AID1966, AID2133, AID2136, AID2285, AID2495]
Measurement: IC50 = 662 nM (pChEMBL 6.179999828338623)
Descriptors: MW 558.54, ALogP 4.88, HBA 4, HBD 2, PSA 78.51, QED 0.35
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Microtubule-associated protein tau (SINGLE PROTEIN), Homo sapiens
UniProt: P10636
Assay: PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]
Measurement: Potency = 8912.5 nM (pChEMBL 5.050000190734863)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1
InChIKey: GRGDWLDSVPJEJU-UHFFFAOYSA-N
Target: Mannose-6-phosphate isomerase (SINGLE PROTEIN), Homo sapiens
UniProt: P34949
Assay: PUBCHEM_BIOASSAY: Confirmation of compounds inhibiting phosphomannose isomerase (PMI) via a fluorescence intensity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1209, AID1220, AID1545, AID1553, AID1574, AID1620]
Measurement: IC50 = 985 nM (pChEMBL 6.010000228881836)
Descriptors: MW 273.33, ALogP 3.81, HBA 3, HBD 0, PSA 22, QED 0.66
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): COCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12
InChIKey: JSJXZDYLRJZPLA-DHRITJCHSA-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 = 6309.6 nM (pChEMBL 5.199999809265137)
Descriptors: MW 403.45, ALogP 2.21, HBA 8, HBD 2, PSA 120.31, QED 0.36
Compound (SMILES): O=C1C(=C(I)I)c2ccccc2-c2ccccc21
InChIKey: XROGIZCTZXHJRQ-UHFFFAOYSA-N
Target: Beta Lactamase (SINGLE PROTEIN), Pseudomonas aeruginosa
UniProt: Q932Y6
Assay: PubChem BioAssay. Counterscreen for inhibitors of the interaction of nucleotide-binding oligomerization domain containing 2 (NOD2) and receptor-interacting serine-threonine kinase 2 (RIPK2): Fluorescence-based cell-based high throughput dose response assay to identify non-selective inhibitors of the beta-lactamase enzyme (BLA). (Class of assay: confirmatory) 
Measurement: IC50  49720 nM (pChEMBL 4.302999973297119)
Descriptors: MW 458.04, ALogP 5.09, HBA 1, HBD 0, PSA 17.07, QED 0.4
Compound (SMILES): Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN(Cc3ccc(Br)cc3)C(C)C)cc2)cc1
InChIKey: WXARHUFBCYJOBN-UHFFFAOYSA-N
Target: Kappa-type opioid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P41145
Assay: PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR) using an Image-Based Assay - Set 3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1777, AID1785]
Measurement: IC50 = 570 nM (pChEMBL 6.239999771118164)
Descriptors: MW 558.54, ALogP 4.88, HBA 4, HBD 2, PSA 78.51, QED 0.35
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: 14-3-3 protein gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P61981
Assay: PUBCHEM_BIOASSAY: 14-3-3 protein interaction modulators Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 422 (Primary screen preceding this dose response confirmation assay.)]
Measurement: IC50 > 25000 nM (pChEMBL 4.6020002365112305)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Cc1ccc(C)c(-n2sc3cc(F)ccc3c2=O)c1
InChIKey: GRGDWLDSVPJEJU-UHFFFAOYSA-N
Target: Replicase polyprotein 1ab (SINGLE PROTEIN), Severe acute respiratory syndrome coronavirus 2
UniProt: P0DTD1
Assay: SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response from peptide substrate
Measurement: IC50 = 20 nM (pChEMBL 7.699999809265137)
Descriptors: MW 273.33, ALogP 3.81, HBA 3, HBD 0, PSA 22, QED 0.66
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase receptor TYRO3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06418
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: TYRO3
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): O=C1C(=C(I)I)c2ccccc2-c2ccccc21
InChIKey: XROGIZCTZXHJRQ-UHFFFAOYSA-N
Target: Sentrin-specific protease 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96LD8
Assay: PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of Sentrin-Specific Protease 8 using Nedd8 Protein Substrate. (Class of assay: confirmatory) 
Measurement: IC50  100000 nM (pChEMBL 4)
Descriptors: MW 458.04, ALogP 5.09, HBA 1, HBD 0, PSA 17.07, QED 0.4
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Breast cancer type 1 susceptibility protein (SINGLE PROTEIN), Homo sapiens
UniProt: P38398
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BRCT-Phosphoprotein Interaction (Red Fluorophore). (Class of assay: confirmatory) [Related pubchem assays: 875 ]
Measurement: Potency = 25118.9 nM (pChEMBL 4.599999904632568)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): O=C1C(=C(I)I)c2ccccc2-c2ccccc21
InChIKey: XROGIZCTZXHJRQ-UHFFFAOYSA-N
Target: Tyrosyl-DNA phosphodiesterase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95551
Assay: PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response assay to identify inhibitors of human tyrosyl-DNA phosphodiesterase 2 (TDP2).   (Class of assay: confirmatory) 
Measurement: IC50 = 8291 nM (pChEMBL 5.079999923706055)
Descriptors: MW 458.04, ALogP 5.09, HBA 1, HBD 0, PSA 17.07, QED 0.4
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-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 = 28183.8 nM (pChEMBL 4.550000190734863)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Caspase-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P29466
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) 
Measurement: Potency = 12589.3 nM (pChEMBL 4.900000095367432)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: DNA polymerase beta (SINGLE PROTEIN), Homo sapiens
UniProt: P06746
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 
Measurement: Potency = 39810.7 nM (pChEMBL 4.400000095367432)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Fes/Fps (SINGLE PROTEIN), Homo sapiens
UniProt: P07332
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FES
Measurement: Ki = 79.43 nM (pChEMBL 7.099999904632568)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Ubiquitin carboxyl-terminal hydrolase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75604
Assay: PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) 
Measurement: Potency = 398.1 nM (pChEMBL 6.400000095367432)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-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 = 31622.8 nM (pChEMBL 4.5)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Blk (SINGLE PROTEIN), Homo sapiens
UniProt: P51451
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BLK
Measurement: Ki = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Beta-lactamase (SINGLE PROTEIN), Pseudomonas aeruginosa
UniProt: Q79MP6
Assay: PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of IMP-1metallo-beta-lactamase. (Class of assay: confirmatory) 
Measurement: IC50 = 1622 nM (pChEMBL 5.789999961853027)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Epidermal growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P00533
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EGFR
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Beta-lactamase (SINGLE PROTEIN), Salmonella choleraesuis (strain SC-B67)
UniProt: Q5J463
Assay: PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput counterscreen to identify inhibitors of TEM-1 metallo-beta-lactamase. (Class of assay: confirmatory) 
Measurement: IC50 = 619.48 nM (pChEMBL 6.210000038146973)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 50.12 nM (pChEMBL 7.300000190734863)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: ORF 73 (SINGLE PROTEIN), Human herpesvirus 8
UniProt: O40947
Assay: PUBCHEM_BIOASSAY: C-LANA FP assay Measured in Biochemical System Using Plate Reader - 2117-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504431]
Measurement: AC50 = 1109 nM (pChEMBL 5.960000038146973)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek4 (SINGLE PROTEIN), Homo sapiens
UniProt: P51957
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK4
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Insulin-degrading enzyme (SINGLE PROTEIN), Homo sapiens
UniProt: P14735
Assay: PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-based biochemical high throughput dose response assay for activators of recombinant IDE. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588439, AID588440, AID588442]
Measurement: EC50 > 54662 nM (pChEMBL 4.26200008392334)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 125.89 nM (pChEMBL 6.900000095367432)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Insulin-degrading enzyme (SINGLE PROTEIN), Homo sapiens
UniProt: P14735
Assay: PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dose response assay to identify activators of insulin-degrading enzyme (IDE). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493087, AID493124, AID588681]
Measurement: EC50 > 54662 nM (pChEMBL 4.26200008392334)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Insulin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06213
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: INSR
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): CN1C(=O)/C(=N\CCO)c2c3ccccc3c(O)c3cccc1c23
InChIKey: MBKILDUWNJOMEW-JZJYNLBNSA-N
Target: Beta Lactamase (SINGLE PROTEIN), Pseudomonas aeruginosa
UniProt: Q932Y6
Assay: PubChem BioAssay. Epi-absorbance-based dose response assay for common IMP-1 and VIM-2 inhibitors: biochemical high throughput screening assay to identify inhibitors of VIM-2 metallo-beta-lactamase. (Class of assay: confirmatory) 
Measurement: IC50 = 1392 nM (pChEMBL 5.860000133514404)
Descriptors: MW 320.35, ALogP 2.46, HBA 4, HBD 2, PSA 73.13, QED 0.71
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Ephrin type-A receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29317
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: EPHA2
Measurement: Ki > 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 100 nM (pChEMBL 7)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk2 (SINGLE PROTEIN), Homo sapiens
UniProt: O96017
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CHEK2
Measurement: Ki = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 1000 nM (pChEMBL 6)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: MAP kinase-interacting serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBH9
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MKNK2
Measurement: Ki = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PAK 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13153
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PAK1
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXA7
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22D
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Protein kinase C gamma type (SINGLE PROTEIN), Homo sapiens
UniProt: P05129
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCG
Measurement: Ki = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43781
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK3
Measurement: Ki = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Dual specificity tyrosine-phosphorylation-regulated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NR20
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK4
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Maternal embryonic leucine zipper kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q14680
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MELK
Measurement: Ki = 398.11 nM (pChEMBL 6.400000095367432)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase N2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16513
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PKN2
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16644
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPKAPK3
Measurement: Ki > 10000 nM (pChEMBL 5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13554
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2B
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: IGF1R
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Testis-specific serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96PF2
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK22B
Measurement: Ki > 1584.89 nM (pChEMBL 5.800000190734863)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: BTK
Measurement: Ki > 1258.93 nM (pChEMBL 5.900000095367432)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2X6
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK2
Measurement: Ki = 199.53 nM (pChEMBL 6.699999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2D
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O15264
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK13
Measurement: Ki > 7943.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: SRC
Measurement: Ki > 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 501.19 nM (pChEMBL 6.300000190734863)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCI
Measurement: Ki > 5011.87 nM (pChEMBL 5.300000190734863)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 3162.28 nM (pChEMBL 5.5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NEK2
Measurement: Ki = 6309.57 nM (pChEMBL 5.199999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Vascular endothelial growth factor receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P35916
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT4
Measurement: Ki = 15.85 nM (pChEMBL 7.800000190734863)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Homeodomain-interacting protein kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE63
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: HIPK4
Measurement: Ki = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDC2
Measurement: Ki = 1000 nM (pChEMBL 6)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 316.23 nM (pChEMBL 6.5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-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 = 1995.26 nM (pChEMBL 5.699999809265137)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-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 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of JNK3 in human PBMCs assessed as decrease in LPS-induced TNFalpha mRNA level after 4 hrs by real-time reverse transcription-PCR analysis
Measurement: IC50 = 10000 nM (pChEMBL 5)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Dual specificity protein kinase TTK (SINGLE PROTEIN), Homo sapiens
UniProt: P33981
Assay: Inhibition of GST-fused full length human TTK compound pre-incubated for 15 mins prior ATP addition by MBP-based assay
Measurement: IC50 = 2500 nM (pChEMBL 5.599999904632568)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Inhibition of JNK3
Measurement: IC50 = 190 nM (pChEMBL 6.71999979019165)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase 17A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UEE5
Assay: Average Binding Constant for STK17A; NA=Not Active at 10 uM
Measurement: Kd = 2100 nM (pChEMBL 5.679999828338623)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Aurora kinase C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UQB9
Assay: Average Binding Constant for Aurora3; NA=Not Active at 10 uM
Measurement: Kd = 5300 nM (pChEMBL 5.28000020980835)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Average Binding Constant for JNK3; NA=Not Active at 10 uM
Measurement: Kd = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: BMP-2-inducible protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NSY1
Assay: Average Binding Constant for BIKE; NA=Not Active at 10 uM
Measurement: Kd = 25 nM (pChEMBL 7.599999904632568)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: MAP kinase-interacting serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HBH9
Assay: Average Binding Constant for MKNK2; NA=Not Active at 10 uM
Measurement: Kd = 1000 nM (pChEMBL 6)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P45984
Assay: Average Binding Constant for JNK2; NA=Not Active at 10 uM
Measurement: Kd = 84 nM (pChEMBL 7.079999923706055)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Ephrin type-A receptor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P29320
Assay: Average Binding Constant for EPHA3; NA=Not Active at 10 uM
Measurement: Kd = 4000 nM (pChEMBL 5.400000095367432)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: Average Binding Constant for SLK; NA=Not Active at 10 uM
Measurement: Kd = 2300 nM (pChEMBL 5.639999866485596)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Cyclin-G-associated kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O14976
Assay: Average Binding Constant for GAK; NA=Not Active at 10 uM
Measurement: Kd = 38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Phosphorylase b kinase gamma catalytic chain, liver/testis isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P15735
Assay: Average Binding Constant for PHkg2; NA=Not Active at 10 uM
Measurement: Kd = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: TRAF2 and NCK-interacting protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UKE5
Assay: Average Binding Constant for TNIK; NA=Not Active at 10 uM
Measurement: Kd = 480 nM (pChEMBL 6.320000171661377)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Casein kinase I isoform epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: P49674
Assay: Average Binding Constant for CSNK1E; NA=Not Active at 10 uM
Measurement: Kd = 3100 nM (pChEMBL 5.510000228881836)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase PLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00444
Assay: Average Binding Constant for STK18; NA=Not Active at 10 uM
Measurement: Kd = 770 nM (pChEMBL 6.110000133514404)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: AP2-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q2M2I8
Assay: Average Binding Constant for AAK1; NA=Not Active at 10 uM
Measurement: Kd = 35 nM (pChEMBL 7.460000038146973)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Average Binding Constant for Aurora2; NA=Not Active at 10 uM
Measurement: Kd = 980 nM (pChEMBL 6.010000228881836)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase ULK3 (SINGLE PROTEIN), Mus musculus
UniProt: Q3U3Q1
Assay: Average Binding Constant for ULK3 m; NA=Not Active at 10 uM
Measurement: Kd = 680 nM (pChEMBL 6.170000076293945)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAZ1
Assay: Average Binding Constant for CLK4; NA=Not Active at 10 uM
Measurement: Kd = 260 nM (pChEMBL 6.579999923706055)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44
Compound (SMILES): Oc1c2ccccc2c2c3c(cccc13)N=N2
InChIKey: KRIUNPBAQZGFQA-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P45983
Assay: Average Binding Constant for JNK1; NA=Not Active at 10 uM
Measurement: Kd = 100 nM (pChEMBL 7)
Descriptors: MW 220.23, ALogP 4.43, HBA 3, HBD 1, PSA 44.95, QED 0.44