lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Programmed cell death protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O14737
Assay: Binding affinity to human PDCD5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1703218.83 nM (pChEMBL 2.7699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Programmed cell death protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: O75340
Assay: Binding affinity to human PDCD6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1005.93 nM (pChEMBL 6)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Programmed cell death protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: O75340
Assay: Binding affinity to human PDCD6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1043.57 nM (pChEMBL 5.980000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Programmed cell death 6-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WUM4
Assay: Binding affinity to human PDCD6IP human incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4238.65 nM (pChEMBL 5.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Programmed cell death 6-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WUM4
Assay: Binding affinity to human PDCD6IP human incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4238.65 nM (pChEMBL 5.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 2',5'-phosphodiesterase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6L8Q7
Assay: Binding affinity to human PDE12 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 71084.47 nM (pChEMBL 4.150000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 2',5'-phosphodiesterase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6L8Q7
Assay: Binding affinity to human PDE12 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 108464.91 nM (pChEMBL 3.9600000381469727)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor beta (SINGLE PROTEIN), Homo sapiens
UniProt: P09619
Assay: Binding affinity to human PDGFRB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8742.23 nM (pChEMBL 5.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Platelet-derived growth factor receptor beta (SINGLE PROTEIN), Homo sapiens
UniProt: P09619
Assay: Binding affinity to human PDGFRB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10002.84 nM (pChEMBL 5)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P08559
Assay: Binding affinity to human PDHA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 447.32 nM (pChEMBL 6.349999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P08559
Assay: Binding affinity to human PDHA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 492.41 nM (pChEMBL 6.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P29803
Assay: Binding affinity to human PDHA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4723.55 nM (pChEMBL 5.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P29803
Assay: Binding affinity to human PDHA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4723.55 nM (pChEMBL 5.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pyruvate dehydrogenase E1 component subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P11177
Assay: Binding affinity to human PDHB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6355.93 nM (pChEMBL 5.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pyruvate dehydrogenase E1 component subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P11177
Assay: Binding affinity to human PDHB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7181.53 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein disulfide-isomerase A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P30101
Assay: Binding affinity to human PDIA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 102.81 nM (pChEMBL 6.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein disulfide-isomerase A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P30101
Assay: Binding affinity to human PDIA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 102.81 nM (pChEMBL 6.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein disulfide-isomerase A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P13667
Assay: Binding affinity to human PDIA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 58.21 nM (pChEMBL 7.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein disulfide-isomerase A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P13667
Assay: Binding affinity to human PDIA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 58.21 nM (pChEMBL 7.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein disulfide-isomerase A5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14554
Assay: Binding affinity to human PDIA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10489.93 nM (pChEMBL 4.980000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein disulfide-isomerase A5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14554
Assay: Binding affinity to human PDIA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10608.22 nM (pChEMBL 4.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein disulfide-isomerase A6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15084
Assay: Binding affinity to human PDIA6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 62.57 nM (pChEMBL 7.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein disulfide-isomerase A6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15084
Assay: Binding affinity to human PDIA6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 62.57 nM (pChEMBL 7.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q15120
Assay: Binding affinity to human PDK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 119.16 nM (pChEMBL 6.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q15120
Assay: Binding affinity to human PDK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 119.16 nM (pChEMBL 6.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: PDZ and LIM domain protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96HC4
Assay: Binding affinity to human PDLIM5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.031 nM (pChEMBL 8.6899995803833)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: PDZ and LIM domain protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96HC4
Assay: Binding affinity to human PDLIM5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.09 nM (pChEMBL 8.680000305175781)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sister chromatid cohesion protein PDS5 homolog A (SINGLE PROTEIN), Homo sapiens
UniProt: Q29RF7
Assay: Binding affinity to human PDS5A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2817.39 nM (pChEMBL 5.550000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sister chromatid cohesion protein PDS5 homolog A (SINGLE PROTEIN), Homo sapiens
UniProt: Q29RF7
Assay: Binding affinity to human PDS5A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2817.39 nM (pChEMBL 5.550000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sister chromatid cohesion protein PDS5 homolog B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NTI5
Assay: Binding affinity to human PDS5B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 36.89 nM (pChEMBL 7.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sister chromatid cohesion protein PDS5 homolog B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NTI5
Assay: Binding affinity to human PDS5B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 36.89 nM (pChEMBL 7.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pyridoxal kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00764
Assay: Binding affinity to human PDXK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1194.86 nM (pChEMBL 5.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Pyridoxal kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00764
Assay: Binding affinity to human PDXK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1194.86 nM (pChEMBL 5.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylethanolamine-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30086
Assay: Binding affinity to human PEBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 83.5 nM (pChEMBL 7.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylethanolamine-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30086
Assay: Binding affinity to human PEBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 83.5 nM (pChEMBL 7.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Peflin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBV8
Assay: Binding affinity to human PEF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10792.29 nM (pChEMBL 4.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Peflin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBV8
Assay: Binding affinity to human PEF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10792.29 nM (pChEMBL 4.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Proline-, glutamic acid- and leucine-rich protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IZL8
Assay: Binding affinity to human PELP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 289.76 nM (pChEMBL 6.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Proline-, glutamic acid- and leucine-rich protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IZL8
Assay: Binding affinity to human PELP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 289.76 nM (pChEMBL 6.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Xaa-Pro dipeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: P12955
Assay: Binding affinity to human PEPD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 547.31 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Xaa-Pro dipeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: P12955
Assay: Binding affinity to human PEPD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 547.31 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphoribosylformylglycinamidine synthase (SINGLE PROTEIN), Homo sapiens
UniProt: O15067
Assay: Binding affinity to human PFAS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56956.08 nM (pChEMBL 4.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphoribosylformylglycinamidine synthase (SINGLE PROTEIN), Homo sapiens
UniProt: O15067
Assay: Binding affinity to human PFAS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 56956.08 nM (pChEMBL 4.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Prefoldin subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60925
Assay: Binding affinity to human PFDN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 165.38 nM (pChEMBL 6.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Prefoldin subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60925
Assay: Binding affinity to human PFDN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 326.71 nM (pChEMBL 6.489999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Prefoldin subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHV9
Assay: Binding affinity to human PFDN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 92354.33 nM (pChEMBL 4.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Prefoldin subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHV9
Assay: Binding affinity to human PFDN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 92354.33 nM (pChEMBL 4.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Prefoldin subunit 6 (SINGLE PROTEIN), Homo sapiens
UniProt: O15212
Assay: Binding affinity to human PFDN6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 481481.69 nM (pChEMBL 3.319999933242798)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent 6-phosphofructokinase, liver type (SINGLE PROTEIN), Homo sapiens
UniProt: P17858
Assay: Binding affinity to human PFKL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 33.81 nM (pChEMBL 7.46999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent 6-phosphofructokinase, liver type (SINGLE PROTEIN), Homo sapiens
UniProt: P17858
Assay: Binding affinity to human PFKL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 33.81 nM (pChEMBL 7.46999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent 6-phosphofructokinase, platelet type (SINGLE PROTEIN), Homo sapiens
UniProt: Q01813
Assay: Binding affinity to human PFKP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.711 nM (pChEMBL 8.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent 6-phosphofructokinase, platelet type (SINGLE PROTEIN), Homo sapiens
UniProt: Q01813
Assay: Binding affinity to human PFKP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.711 nM (pChEMBL 8.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Profilin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P07737
Assay: Binding affinity to human PFN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3982.03 nM (pChEMBL 5.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Profilin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P07737
Assay: Binding affinity to human PFN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3982.03 nM (pChEMBL 5.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphoglycerate mutase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P18669
Assay: Binding affinity to human PGAM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.02 nM (pChEMBL 7.300000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphoglycerate mutase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P18669
Assay: Binding affinity to human PGAM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50.02 nM (pChEMBL 7.300000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein phosphatase PGAM5, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q96HS1
Assay: Binding affinity to human PGAM5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7271.56 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein phosphatase PGAM5, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q96HS1
Assay: Binding affinity to human PGAM5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7339.14 nM (pChEMBL 5.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 6-phosphogluconate dehydrogenase, decarboxylating (SINGLE PROTEIN), Homo sapiens
UniProt: P52209
Assay: Binding affinity to human PGD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 130.78 nM (pChEMBL 6.880000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 6-phosphogluconate dehydrogenase, decarboxylating (SINGLE PROTEIN), Homo sapiens
UniProt: P52209
Assay: Binding affinity to human PGD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 130.78 nM (pChEMBL 6.880000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphoglycerate kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00558
Assay: Binding affinity to human PGK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 57.22 nM (pChEMBL 7.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphoglycerate kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00558
Assay: Binding affinity to human PGK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57.22 nM (pChEMBL 7.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 6-phosphogluconolactonase (SINGLE PROTEIN), Homo sapiens
UniProt: O95336
Assay: Binding affinity to human PGLS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.535 nM (pChEMBL 8.020000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 6-phosphogluconolactonase (SINGLE PROTEIN), Homo sapiens
UniProt: O95336
Assay: Binding affinity to human PGLS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.535 nM (pChEMBL 8.020000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphopentomutase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96G03
Assay: Binding affinity to human PGM2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 148779.65 nM (pChEMBL 3.8299999237060547)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Binding affinity to human PGR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7.01 nM (pChEMBL 8.149999618530273)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Progesterone receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06401
Assay: Binding affinity to human PGR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7.01 nM (pChEMBL 8.149999618530273)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Membrane-associated progesterone receptor component 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00264
Assay: Binding affinity to human PGRMC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23190.18 nM (pChEMBL 4.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Membrane-associated progesterone receptor component 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00264
Assay: Binding affinity to human PGRMC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 23190.18 nM (pChEMBL 4.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Membrane-associated progesterone receptor component 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15173
Assay: Binding affinity to human PGRMC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.415 nM (pChEMBL 8.270000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Membrane-associated progesterone receptor component 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15173
Assay: Binding affinity to human PGRMC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.415 nM (pChEMBL 8.270000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Prohibitin 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P35232
Assay: Binding affinity to human PHB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1935.74 nM (pChEMBL 5.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Prohibitin 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P35232
Assay: Binding affinity to human PHB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1935.74 nM (pChEMBL 5.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Prohibitin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99623
Assay: Binding affinity to human PHB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 68.56 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Prohibitin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99623
Assay: Binding affinity to human PHB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 68.56 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: D-3-phosphoglycerate dehydrogenase (SINGLE PROTEIN), Homo sapiens
UniProt: O43175
Assay: Binding affinity to human PHGDH incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15023.4 nM (pChEMBL 4.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: D-3-phosphoglycerate dehydrogenase (SINGLE PROTEIN), Homo sapiens
UniProt: O43175
Assay: Binding affinity to human PHGDH incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15023.4 nM (pChEMBL 4.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphorylase b kinase regulatory subunit alpha, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P46019
Assay: Binding affinity to human PHKA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1108.05 nM (pChEMBL 5.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphorylase b kinase regulatory subunit alpha, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P46019
Assay: Binding affinity to human PHKA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1108.05 nM (pChEMBL 5.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphorylase kinase beta subunit (SINGLE PROTEIN), Homo sapiens
UniProt: Q93100
Assay: Binding affinity to human PHKB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 383.67 nM (pChEMBL 6.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphorylase kinase beta subunit (SINGLE PROTEIN), Homo sapiens
UniProt: Q93100
Assay: Binding affinity to human PHKB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 383.67 nM (pChEMBL 6.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphorylase b kinase gamma catalytic chain, liver/testis isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P15735
Assay: Binding affinity to human PHKG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.58 nM (pChEMBL 7.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphorylase b kinase gamma catalytic chain, liver/testis isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P15735
Assay: Binding affinity to human PHKG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18.13 nM (pChEMBL 7.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 14 kDa phosphohistidine phosphatase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NRX4
Assay: Binding affinity to human PHPT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 57.79 nM (pChEMBL 7.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 14 kDa phosphohistidine phosphatase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NRX4
Assay: Binding affinity to human PHPT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57.79 nM (pChEMBL 7.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 5-phosphohydroxy-L-lysine phospho-lyase (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IUZ5
Assay: Binding affinity to human PHYKPL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 30999.63 nM (pChEMBL 4.510000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 5-phosphohydroxy-L-lysine phospho-lyase (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IUZ5
Assay: Binding affinity to human PHYKPL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30999.63 nM (pChEMBL 4.510000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 4-kinase alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P42356
Assay: Binding affinity to human PI4KA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50145.3 nM (pChEMBL 4.300000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 4-kinase alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P42356
Assay: Binding affinity to human PI4KA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50145.3 nM (pChEMBL 4.300000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol-binding clathrin assembly protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q13492
Assay: Binding affinity to human PICALM incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 28166.22 nM (pChEMBL 4.550000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol-binding clathrin assembly protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q13492
Assay: Binding affinity to human PICALM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 36761.69 nM (pChEMBL 4.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: GPI-anchor transamidase (SINGLE PROTEIN), Homo sapiens
UniProt: Q92643
Assay: Binding affinity to human PIGK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 83.9 nM (pChEMBL 7.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: GPI-anchor transamidase (SINGLE PROTEIN), Homo sapiens
UniProt: Q92643
Assay: Binding affinity to human PIGK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 83.9 nM (pChEMBL 7.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: GPI ethanolamine phosphate transferase 3, catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TEQ8
Assay: Binding affinity to human PIGO incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 134.2 nM (pChEMBL 6.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: GPI ethanolamine phosphate transferase 3, catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TEQ8
Assay: Binding affinity to human PIGO incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 233.19 nM (pChEMBL 6.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: GPI-anchor transamidase component PIGS (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S52
Assay: Binding affinity to human PIGS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 254.66 nM (pChEMBL 6.590000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: GPI-anchor transamidase component PIGS (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S52
Assay: Binding affinity to human PIGS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 254.66 nM (pChEMBL 6.590000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: GPI-anchor transamidase component PIGT (SINGLE PROTEIN), Homo sapiens
UniProt: Q969N2
Assay: Binding affinity to human PIGT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 540.39 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: GPI-anchor transamidase component PIGT (SINGLE PROTEIN), Homo sapiens
UniProt: Q969N2
Assay: Binding affinity to human PIGT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 540.39 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase catalytic subunit type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NEB9
Assay: Binding affinity to human PIK3C3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26018.47 nM (pChEMBL 4.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase catalytic subunit type 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NEB9
Assay: Binding affinity to human PIK3C3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26018.47 nM (pChEMBL 4.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P27986
Assay: Binding affinity to human PIK3R1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26.51 nM (pChEMBL 7.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P27986
Assay: Binding affinity to human PIK3R1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30.34 nM (pChEMBL 7.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 3-kinase regulatory subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: O00459
Assay: Binding affinity to human PIK3R2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1976487.2 nM (pChEMBL 2.700000047683716)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Binding affinity to human PIM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38.38 nM (pChEMBL 7.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11309
Assay: Binding affinity to human PIM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 90.08 nM (pChEMBL 7.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y237
Assay: Binding affinity to human PIN4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11320.69 nM (pChEMBL 4.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y237
Assay: Binding affinity to human PIN4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11320.69 nM (pChEMBL 4.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48426
Assay: Binding affinity to human PIP4K2A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 79949.71 nM (pChEMBL 4.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48426
Assay: Binding affinity to human PIP4K2A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 83446.14 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TBX8
Assay: Binding affinity to human PIP4K2C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.258 nM (pChEMBL 8.279999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32