lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Stress-70 protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P38646
Assay: Binding affinity to human HSPA9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 31.43 nM (pChEMBL 7.5)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heat shock protein beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P04792
Assay: Binding affinity to human HSPB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10990.53 nM (pChEMBL 4.960000038146973)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heat shock protein beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P04792
Assay: Binding affinity to human HSPB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10990.53 nM (pChEMBL 4.960000038146973)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 60 kDa heat shock protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P10809
Assay: Binding affinity to human HSPD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.098 nM (pChEMBL 8.390000343322754)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 60 kDa heat shock protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P10809
Assay: Binding affinity to human HSPD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.098 nM (pChEMBL 8.390000343322754)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 10 kDa heat shock protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P61604
Assay: Binding affinity to human HSPE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 33996.91 nM (pChEMBL 4.46999979019165)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 10 kDa heat shock protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P61604
Assay: Binding affinity to human HSPE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 33996.91 nM (pChEMBL 4.46999979019165)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heat shock protein 105 kDa (SINGLE PROTEIN), Homo sapiens
UniProt: Q92598
Assay: Binding affinity to human HSPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2990.58 nM (pChEMBL 5.519999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heat shock protein 105 kDa (SINGLE PROTEIN), Homo sapiens
UniProt: Q92598
Assay: Binding affinity to human HSPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2990.58 nM (pChEMBL 5.519999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Hypoxia up-regulated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4L1
Assay: Binding affinity to human HYOU1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 37133.93 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Hypoxia up-regulated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4L1
Assay: Binding affinity to human HYOU1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 37133.93 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Isoleucine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P41252
Assay: Binding affinity to human IARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 94.41 nM (pChEMBL 7.03000020980835)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Isoleucine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P41252
Assay: Binding affinity to human IARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 94.41 nM (pChEMBL 7.03000020980835)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase ICK (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPZ9
Assay: Binding affinity to human ICK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 29.32 nM (pChEMBL 7.53000020980835)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase ICK (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPZ9
Assay: Binding affinity to human ICK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 43.26 nM (pChEMBL 7.360000133514404)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NADP], mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P48735
Assay: Binding affinity to human IDH2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.871 nM (pChEMBL 8.729999542236328)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NADP], mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P48735
Assay: Binding affinity to human IDH2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.871 nM (pChEMBL 8.729999542236328)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P50213
Assay: Binding affinity to human IDH3A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 836.29 nM (pChEMBL 6.079999923706055)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P50213
Assay: Binding affinity to human IDH3A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 836.29 nM (pChEMBL 6.079999923706055)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Binding affinity to human IGF1R incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11.82 nM (pChEMBL 7.929999828338623)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Binding affinity to human IGF1R incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.86 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Insulin-like growth factor 2 mRNA-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NZI8
Assay: Binding affinity to human IGF2BP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 115.35 nM (pChEMBL 6.940000057220459)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Insulin-like growth factor 2 mRNA-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NZI8
Assay: Binding affinity to human IGF2BP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 115.35 nM (pChEMBL 6.940000057220459)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: Binding affinity to human IKBKE incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 76.46 nM (pChEMBL 7.119999885559082)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Inhibitor of nuclear factor kappa-B kinase subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q14164
Assay: Binding affinity to human IKBKE incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 123.16 nM (pChEMBL 6.909999847412109)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin enhancer-binding factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12905
Assay: Binding affinity to human ILF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4537.24 nM (pChEMBL 5.340000152587891)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin enhancer-binding factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12905
Assay: Binding affinity to human ILF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4537.24 nM (pChEMBL 5.340000152587891)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin enhancer-binding factor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12906
Assay: Binding affinity to human ILF3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9385.7 nM (pChEMBL 5.03000020980835)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin enhancer-binding factor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12906
Assay: Binding affinity to human ILF3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9385.7 nM (pChEMBL 5.03000020980835)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Scaffold protein ILK (SINGLE PROTEIN), Homo sapiens
UniProt: Q13418
Assay: Binding affinity to human ILK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 57390.57 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Scaffold protein ILK (SINGLE PROTEIN), Homo sapiens
UniProt: Q13418
Assay: Binding affinity to human ILK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57390.57 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: MICOS complex subunit MIC60 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16891
Assay: Binding affinity to human IMMT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5746.11 nM (pChEMBL 5.239999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: MICOS complex subunit MIC60 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16891
Assay: Binding affinity to human IMMT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5746.11 nM (pChEMBL 5.239999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Alpha-internexin (SINGLE PROTEIN), Homo sapiens
UniProt: Q16352
Assay: Binding affinity to human INA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 84.51 nM (pChEMBL 7.070000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Alpha-internexin (SINGLE PROTEIN), Homo sapiens
UniProt: Q16352
Assay: Binding affinity to human INA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 306 nM (pChEMBL 6.510000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Inner centromere protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQS7
Assay: Binding affinity to human INCENP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3048.86 nM (pChEMBL 5.519999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Inner centromere protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQS7
Assay: Binding affinity to human INCENP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3416.01 nM (pChEMBL 5.46999979019165)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15357
Assay: Binding affinity to human INPPL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 175.95 nM (pChEMBL 6.75)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15357
Assay: Binding affinity to human INPPL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 363.98 nM (pChEMBL 6.440000057220459)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Insulin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06213
Assay: Binding affinity to human INSR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 122.14 nM (pChEMBL 6.909999847412109)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Insulin receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P06213
Assay: Binding affinity to human INSR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 162.67 nM (pChEMBL 6.789999961853027)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TEX9
Assay: Binding affinity to human IPO4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6363.68 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TEX9
Assay: Binding affinity to human IPO4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6363.68 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-5 (SINGLE PROTEIN), Homo sapiens
UniProt: O00410
Assay: Binding affinity to human IPO5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.449 nM (pChEMBL 8.350000381469727)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-5 (SINGLE PROTEIN), Homo sapiens
UniProt: O00410
Assay: Binding affinity to human IPO5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.449 nM (pChEMBL 8.350000381469727)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: O95373
Assay: Binding affinity to human IPO7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 280.26 nM (pChEMBL 6.550000190734863)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: O95373
Assay: Binding affinity to human IPO7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 280.26 nM (pChEMBL 6.550000190734863)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-8 (SINGLE PROTEIN), Homo sapiens
UniProt: O15397
Assay: Binding affinity to human IPO8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 49541.66 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-8 (SINGLE PROTEIN), Homo sapiens
UniProt: O15397
Assay: Binding affinity to human IPO8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 49541.66 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P70
Assay: Binding affinity to human IPO9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19169.44 nM (pChEMBL 4.71999979019165)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin-9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96P70
Assay: Binding affinity to human IPO9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 19169.44 nM (pChEMBL 4.71999979019165)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ras GTPase-activating-like protein IQGAP1 (SINGLE PROTEIN), Homo sapiens
UniProt: P46940
Assay: Binding affinity to human IQGAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4703.3 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ras GTPase-activating-like protein IQGAP1 (SINGLE PROTEIN), Homo sapiens
UniProt: P46940
Assay: Binding affinity to human IQGAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4703.3 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51617
Assay: Binding affinity to human IRAK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8918.6 nM (pChEMBL 5.050000190734863)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51617
Assay: Binding affinity to human IRAK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14612.24 nM (pChEMBL 4.829999923706055)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y616
Assay: Binding affinity to human IRAK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 576.77 nM (pChEMBL 6.239999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y616
Assay: Binding affinity to human IRAK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1344.82 nM (pChEMBL 5.869999885559082)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWZ3
Assay: Binding affinity to human IRAK4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 360.87 nM (pChEMBL 6.440000057220459)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Interleukin-1 receptor-associated kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWZ3
Assay: Binding affinity to human IRAK4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 466.08 nM (pChEMBL 6.329999923706055)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lamin-B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P20700
Assay: Binding affinity to human LMNB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13849.42 nM (pChEMBL 4.860000133514404)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lamin-B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P20700
Assay: Binding affinity to human LMNB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13849.42 nM (pChEMBL 4.860000133514404)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: Binding affinity to human LMNA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5411.92 nM (pChEMBL 5.269999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Prelamin-A/C (SINGLE PROTEIN), Homo sapiens
UniProt: P02545
Assay: Binding affinity to human LMNA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5411.92 nM (pChEMBL 5.269999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Integrin alpha-6 (SINGLE PROTEIN), Homo sapiens
UniProt: P23229
Assay: Binding affinity to human ITGA6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16.02 nM (pChEMBL 7.789999961853027)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Integrin alpha-6 (SINGLE PROTEIN), Homo sapiens
UniProt: P23229
Assay: Binding affinity to human ITGA6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16.3 nM (pChEMBL 7.789999961853027)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Integrin beta-4 (SINGLE PROTEIN), Homo sapiens
UniProt: P16144
Assay: Binding affinity to human ITGB4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3506.82 nM (pChEMBL 5.460000038146973)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Integrin beta-4 (SINGLE PROTEIN), Homo sapiens
UniProt: P16144
Assay: Binding affinity to human ITGB4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3506.82 nM (pChEMBL 5.460000038146973)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23458
Assay: Binding affinity to human JAK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.13 nM (pChEMBL 8.289999961853027)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tyrosine-protein kinase JAK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23458
Assay: Binding affinity to human JAK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13.77 nM (pChEMBL 7.860000133514404)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Junction plakoglobin (SINGLE PROTEIN), Homo sapiens
UniProt: P14923
Assay: Binding affinity to human JUP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23097.69 nM (pChEMBL 4.639999866485596)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Junction plakoglobin (SINGLE PROTEIN), Homo sapiens
UniProt: P14923
Assay: Binding affinity to human JUP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 23097.69 nM (pChEMBL 4.639999866485596)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lysine--tRNA ligase (SINGLE PROTEIN), Homo sapiens
UniProt: Q15046
Assay: Binding affinity to human KARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 758 nM (pChEMBL 6.119999885559082)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lysine--tRNA ligase (SINGLE PROTEIN), Homo sapiens
UniProt: Q15046
Assay: Binding affinity to human KARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 758 nM (pChEMBL 6.119999885559082)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Katanin p60 ATPase-containing subunit A-like 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IYT4
Assay: Binding affinity to human KATNAL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 37.6 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Katanin p60 ATPase-containing subunit A-like 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IYT4
Assay: Binding affinity to human KATNAL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 37.6 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ER lumen protein-retaining receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P24390
Assay: Binding affinity to human KDELR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 35191.08 nM (pChEMBL 4.449999809265137)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ER lumen protein-retaining receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P24390
Assay: Binding affinity to human KDELR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 35191.08 nM (pChEMBL 4.449999809265137)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ER lumen protein-retaining receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P33947
Assay: Binding affinity to human KDELR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 108.81 nM (pChEMBL 6.960000038146973)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ER lumen protein-retaining receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P33947
Assay: Binding affinity to human KDELR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 108.81 nM (pChEMBL 6.960000038146973)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: KH domain-containing, RNA-binding, signal transduction-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07666
Assay: Binding affinity to human KHDRBS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 117.7 nM (pChEMBL 6.929999828338623)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: KH domain-containing, RNA-binding, signal transduction-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07666
Assay: Binding affinity to human KHDRBS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 117.7 nM (pChEMBL 6.929999828338623)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Far upstream element-binding protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92945
Assay: Binding affinity to human KHSRP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1000.52 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Far upstream element-binding protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92945
Assay: Binding affinity to human KHSRP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1025.58 nM (pChEMBL 5.989999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Transmembrane protein 94 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12767
Assay: Binding affinity to human KIAA0195 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 51.31 nM (pChEMBL 7.289999961853027)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Transmembrane protein 94 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12767
Assay: Binding affinity to human KIAA0195 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 77.64 nM (pChEMBL 7.110000133514404)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: WASH complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12768
Assay: Binding affinity to human KIAA0196 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.337 nM (pChEMBL 9.470000267028809)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: WASH complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12768
Assay: Binding affinity to human KIAA0196 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.337 nM (pChEMBL 9.470000267028809)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein CIP2A (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TCG1
Assay: Binding affinity to human KIAA1524 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12586.73 nM (pChEMBL 4.900000095367432)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein CIP2A (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TCG1
Assay: Binding affinity to human KIAA1524 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12586.73 nM (pChEMBL 4.900000095367432)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Kinetochore-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P50748
Assay: Binding affinity to human KNTC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 14033.14 nM (pChEMBL 4.849999904632568)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Kinetochore-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P50748
Assay: Binding affinity to human KNTC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14033.14 nM (pChEMBL 4.849999904632568)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P52292
Assay: Binding affinity to human KPNA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7334.43 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P52292
Assay: Binding affinity to human KPNA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7334.43 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin subunit beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14974
Assay: Binding affinity to human KPNB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3710.85 nM (pChEMBL 5.429999828338623)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Importin subunit beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14974
Assay: Binding affinity to human KPNB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3710.85 nM (pChEMBL 5.429999828338623)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Keratin, type I cytoskeletal 18 (SINGLE PROTEIN), Homo sapiens
UniProt: P05783
Assay: Binding affinity to human KRT18 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7349.31 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Keratin, type I cytoskeletal 18 (SINGLE PROTEIN), Homo sapiens
UniProt: P05783
Assay: Binding affinity to human KRT18 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7349.31 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit KCP2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N6L1
Assay: Binding affinity to human KRTCAP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 164.46 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit KCP2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N6L1
Assay: Binding affinity to human KRTCAP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 164.46 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Kinectin (SINGLE PROTEIN), Homo sapiens
UniProt: Q86UP2
Assay: Binding affinity to human KTN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4845.2 nM (pChEMBL 5.320000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Kinectin (SINGLE PROTEIN), Homo sapiens
UniProt: Q86UP2
Assay: Binding affinity to human KTN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4845.2 nM (pChEMBL 5.320000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: EKC/KEOPS complex subunit LAGE3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14657
Assay: Binding affinity to human LAGE3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 131344.49 nM (pChEMBL 3.880000114440918)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lysosome-associated membrane glycoprotein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P13473
Assay: Binding affinity to human LAMP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 37.83 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lysosome-associated membrane glycoprotein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P13473
Assay: Binding affinity to human LAMP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 37.83 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: La-related protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6PKG0
Assay: Binding affinity to human LARP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27986.52 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: La-related protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6PKG0
Assay: Binding affinity to human LARP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27986.52 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Leucine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P2J5
Assay: Binding affinity to human LARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4627.44 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Leucine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P2J5
Assay: Binding affinity to human LARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4627.44 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: LIM and SH3 domain protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14847
Assay: Binding affinity to human LASP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.673 nM (pChEMBL 8.329999923706055)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: LIM and SH3 domain protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14847
Assay: Binding affinity to human LASP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.673 nM (pChEMBL 8.329999923706055)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase LATS1 (SINGLE PROTEIN), Homo sapiens
UniProt: O95835
Assay: Binding affinity to human LATS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.465 nM (pChEMBL 8.829999923706055)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase LATS1 (SINGLE PROTEIN), Homo sapiens
UniProt: O95835
Assay: Binding affinity to human LATS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.86 nM (pChEMBL 8.729999542236328)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Delta(14)-sterol reductase LBR (SINGLE PROTEIN), Homo sapiens
UniProt: Q14739
Assay: Binding affinity to human LBR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5780.87 nM (pChEMBL 5.239999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Delta(14)-sterol reductase LBR (SINGLE PROTEIN), Homo sapiens
UniProt: Q14739
Assay: Binding affinity to human LBR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5780.87 nM (pChEMBL 5.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32