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: MICOS complex subunit MIC13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5XKP0
Assay: Binding affinity to human QIL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 169.12 nM (pChEMBL 6.769999980926514)
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: MICOS complex subunit MIC13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5XKP0
Assay: Binding affinity to human QIL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 169.12 nM (pChEMBL 6.769999980926514)
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: Glutaminyl-peptide cyclotransferase-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXS2
Assay: Binding affinity to human QPCTL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.799 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: Glutaminyl-peptide cyclotransferase-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXS2
Assay: Binding affinity to human QPCTL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.799 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: Queuine tRNA-ribosyltransferase accessory subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H974
Assay: Binding affinity to human QTRTD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.411 nM (pChEMBL 9.390000343322754)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Queuine tRNA-ribosyltransferase accessory subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H974
Assay: Binding affinity to human QTRTD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.907 nM (pChEMBL 9.039999961853027)
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: Ras-related protein Rab-10 (SINGLE PROTEIN), Homo sapiens
UniProt: P61026
Assay: Binding affinity to human RAB10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7335.87 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: Ras-related protein Rab-10 (SINGLE PROTEIN), Homo sapiens
UniProt: P61026
Assay: Binding affinity to human RAB10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7335.87 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: Ras-related protein Rab-14 (SINGLE PROTEIN), Homo sapiens
UniProt: P61106
Assay: Binding affinity to human RAB14 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4442.99 nM (pChEMBL 5.349999904632568)
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: Ras-related protein Rab-14 (SINGLE PROTEIN), Homo sapiens
UniProt: P61106
Assay: Binding affinity to human RAB14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4442.99 nM (pChEMBL 5.349999904632568)
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: Ras-related protein Rab-1A (SINGLE PROTEIN), Homo sapiens
UniProt: P62820
Assay: Binding affinity to human RAB1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1878.58 nM (pChEMBL 5.730000019073486)
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: Ras-related protein Rab-1A (SINGLE PROTEIN), Homo sapiens
UniProt: P62820
Assay: Binding affinity to human RAB1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1878.58 nM (pChEMBL 5.730000019073486)
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: Ras-related protein Rab-27A (SINGLE PROTEIN), Homo sapiens
UniProt: P51159
Assay: Binding affinity to human RAB27A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1931798.4 nM (pChEMBL 2.7100000381469727)
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: Ras-related protein Rab-35 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15286
Assay: Binding affinity to human RAB35 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 235.32 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: Ras-related protein Rab-35 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15286
Assay: Binding affinity to human RAB35 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 235.32 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: Ras-related protein Rab-39A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14964
Assay: Binding affinity to human RAB39A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12.9 nM (pChEMBL 7.889999866485596)
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: Ras-related protein Rab-39A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14964
Assay: Binding affinity to human RAB39A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12.9 nM (pChEMBL 7.889999866485596)
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: Ras-related protein Rab-5B (SINGLE PROTEIN), Homo sapiens
UniProt: P61020
Assay: Binding affinity to human RAB5B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 32.73 nM (pChEMBL 7.489999771118164)
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: Ras-related protein Rab-5B (SINGLE PROTEIN), Homo sapiens
UniProt: P61020
Assay: Binding affinity to human RAB5B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 32.73 nM (pChEMBL 7.489999771118164)
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: Ras-related protein Rab-5C (SINGLE PROTEIN), Homo sapiens
UniProt: P51148
Assay: Binding affinity to human RAB5C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13928.9 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ras-related protein Rab-5C (SINGLE PROTEIN), Homo sapiens
UniProt: P51148
Assay: Binding affinity to human RAB5C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13928.9 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ras-related protein Rab-6A (SINGLE PROTEIN), Homo sapiens
UniProt: P20340
Assay: Binding affinity to human RAB6A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 534.76 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: Ras-related protein Rab-6A (SINGLE PROTEIN), Homo sapiens
UniProt: P20340
Assay: Binding affinity to human RAB6A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 534.76 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: Ras-related protein Rab-7a (SINGLE PROTEIN), Homo sapiens
UniProt: P51149
Assay: Binding affinity to human RAB7A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 440.08 nM (pChEMBL 6.360000133514404)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ras-related protein Rab-7a (SINGLE PROTEIN), Homo sapiens
UniProt: P51149
Assay: Binding affinity to human RAB7A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 440.08 nM (pChEMBL 6.360000133514404)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ras-related protein Rab-8A (SINGLE PROTEIN), Homo sapiens
UniProt: P61006
Assay: Binding affinity to human RAB8A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3691044.5 nM (pChEMBL 2.430000066757202)
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: Rab-like protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5HYI8
Assay: Binding affinity to human RABL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 22419.47 nM (pChEMBL 4.650000095367432)
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: Rab-like protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5HYI8
Assay: Binding affinity to human RABL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 22475.8 nM (pChEMBL 4.650000095367432)
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: Rab-like protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q3YEC7
Assay: Binding affinity to human RABL6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 154.99 nM (pChEMBL 6.809999942779541)
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: Rab-like protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q3YEC7
Assay: Binding affinity to human RABL6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 154.99 nM (pChEMBL 6.809999942779541)
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: Ras-related C3 botulinum toxin substrate 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P15153
Assay: Binding affinity to human RAC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 61.83 nM (pChEMBL 7.210000038146973)
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: Ras-related C3 botulinum toxin substrate 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P15153
Assay: Binding affinity to human RAC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 61.83 nM (pChEMBL 7.210000038146973)
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: UV excision repair protein RAD23 homolog B (SINGLE PROTEIN), Homo sapiens
UniProt: P54727
Assay: Binding affinity to human RAD23B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 14937.67 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: UV excision repair protein RAD23 homolog B (SINGLE PROTEIN), Homo sapiens
UniProt: P54727
Assay: Binding affinity to human RAD23B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14937.67 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA repair protein RAD50 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92878
Assay: Binding affinity to human RAD50 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1742.16 nM (pChEMBL 5.760000228881836)
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: DNA repair protein RAD50 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92878
Assay: Binding affinity to human RAD50 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1742.16 nM (pChEMBL 5.760000228881836)
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: mRNA export factor RAE1 (SINGLE PROTEIN), Homo sapiens
UniProt: P78406
Assay: Binding affinity to human RAE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7.018 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: mRNA export factor RAE1 (SINGLE PROTEIN), Homo sapiens
UniProt: P78406
Assay: Binding affinity to human RAE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7.018 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: Ras-related protein Ral-A (SINGLE PROTEIN), Homo sapiens
UniProt: P11233
Assay: Binding affinity to human RALA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 144348.32 nM (pChEMBL 3.8399999141693115)
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: GTP-binding nuclear protein Ran (SINGLE PROTEIN), Homo sapiens
UniProt: P62826
Assay: Binding affinity to human RAN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 115.89 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: GTP-binding nuclear protein Ran (SINGLE PROTEIN), Homo sapiens
UniProt: P62826
Assay: Binding affinity to human RAN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 115.89 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ran-specific GTPase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P43487
Assay: Binding affinity to human RANBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8144.09 nM (pChEMBL 5.090000152587891)
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: Ran-specific GTPase-activating protein (SINGLE PROTEIN), Homo sapiens
UniProt: P43487
Assay: Binding affinity to human RANBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8144.09 nM (pChEMBL 5.090000152587891)
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: E3 SUMO-protein ligase RanBP2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49792
Assay: Binding affinity to human RANBP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38796.83 nM (pChEMBL 4.409999847412109)
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: E3 SUMO-protein ligase RanBP2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49792
Assay: Binding affinity to human RANBP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 38796.83 nM (pChEMBL 4.409999847412109)
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: Ras-related protein Rap-2c (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y3L5
Assay: Binding affinity to human RAP2C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1913.88 nM (pChEMBL 5.71999979019165)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ras-related protein Rap-2c (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y3L5
Assay: Binding affinity to human RAP2C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1913.88 nM (pChEMBL 5.71999979019165)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Arginine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P54136
Assay: Binding affinity to human RARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 442.9 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: Arginine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P54136
Assay: Binding affinity to human RARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 442.9 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: Probable arginine--tRNA ligase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T160
Assay: Binding affinity to human RARS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.279 nM (pChEMBL 8.479999542236328)
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: Probable arginine--tRNA ligase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T160
Assay: Binding affinity to human RARS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.279 nM (pChEMBL 8.479999542236328)
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: Ras association domain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P50749
Assay: Binding affinity to human RASSF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3187.58 nM (pChEMBL 5.5)
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: Ras association domain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P50749
Assay: Binding affinity to human RASSF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3430.93 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ras association domain-containing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WWW0
Assay: Binding affinity to human RASSF5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4662.79 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: Ras association domain-containing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WWW0
Assay: Binding affinity to human RASSF5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4742.5 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ribonucleoprotein PTB-binding 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IY67
Assay: Binding affinity to human RAVER1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12.67 nM (pChEMBL 7.900000095367432)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ribonucleoprotein PTB-binding 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IY67
Assay: Binding affinity to human RAVER1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12.67 nM (pChEMBL 7.900000095367432)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Histone-binding protein RBBP4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q09028
Assay: Binding affinity to human RBBP4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 458.32 nM (pChEMBL 6.340000152587891)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Histone-binding protein RBBP4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q09028
Assay: Binding affinity to human RBBP4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 458.32 nM (pChEMBL 6.340000152587891)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Histone-binding protein RBBP7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16576
Assay: Binding affinity to human RBBP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 44398.53 nM (pChEMBL 4.349999904632568)
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: Histone-binding protein RBBP7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16576
Assay: Binding affinity to human RBBP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 46374.23 nM (pChEMBL 4.329999923706055)
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: RNA-binding protein 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NTZ6
Assay: Binding affinity to human RBM12 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 275.8 nM (pChEMBL 6.559999942779541)
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: RNA-binding protein 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NTZ6
Assay: Binding affinity to human RBM12 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 326.44 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: RNA-binding protein 15 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96T37
Assay: Binding affinity to human RBM15 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 22816.12 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: RNA-binding protein 15 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96T37
Assay: Binding affinity to human RBM15 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 22816.12 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Splicing factor 45 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96I25
Assay: Binding affinity to human RBM17 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38.52 nM (pChEMBL 7.409999847412109)
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: Splicing factor 45 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96I25
Assay: Binding affinity to human RBM17 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55.92 nM (pChEMBL 7.25)
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: RNA-binding protein 25 (SINGLE PROTEIN), Homo sapiens
UniProt: P49756
Assay: Binding affinity to human RBM25 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 75104541.89 nM (pChEMBL 1.1200000047683716)
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: RNA-binding protein 26 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T8P6
Assay: Binding affinity to human RBM26 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 921.65 nM (pChEMBL 6.039999961853027)
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: RNA-binding protein 26 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T8P6
Assay: Binding affinity to human RBM26 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 921.65 nM (pChEMBL 6.039999961853027)
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: RNA-binding protein 28 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NW13
Assay: Binding affinity to human RBM28 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1751.25 nM (pChEMBL 5.760000228881836)
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: RNA-binding protein 28 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NW13
Assay: Binding affinity to human RBM28 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1751.25 nM (pChEMBL 5.760000228881836)
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: RNA-binding protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P98179
Assay: Binding affinity to human RBM3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9446.56 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: RNA-binding protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P98179
Assay: Binding affinity to human RBM3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9446.56 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein RCC2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P258
Assay: Binding affinity to human RCC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 37930.29 nM (pChEMBL 4.420000076293945)
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: Protein RCC2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P258
Assay: Binding affinity to human RCC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 37930.29 nM (pChEMBL 4.420000076293945)
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: CapZ-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q6JBY9
Assay: Binding affinity to human RCSD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 48.88 nM (pChEMBL 7.309999942779541)
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: CapZ-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q6JBY9
Assay: Binding affinity to human RCSD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 51.55 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent DNA helicase Q1 (SINGLE PROTEIN), Homo sapiens
UniProt: P46063
Assay: Binding affinity to human RECQL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11926.59 nM (pChEMBL 4.920000076293945)
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: ATP-dependent DNA helicase Q1 (SINGLE PROTEIN), Homo sapiens
UniProt: P46063
Assay: Binding affinity to human RECQL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12902.29 nM (pChEMBL 4.889999866485596)
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: Proto-oncogene c-Rel (SINGLE PROTEIN), Homo sapiens
UniProt: Q04864
Assay: Binding affinity to human REL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1334.07 nM (pChEMBL 5.880000114440918)
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: Proto-oncogene c-Rel (SINGLE PROTEIN), Homo sapiens
UniProt: Q04864
Assay: Binding affinity to human REL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1334.07 nM (pChEMBL 5.880000114440918)
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: Transcription factor p65 (SINGLE PROTEIN), Homo sapiens
UniProt: Q04206
Assay: Binding affinity to human RELA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 344.56 nM (pChEMBL 6.460000038146973)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transcription factor p65 (SINGLE PROTEIN), Homo sapiens
UniProt: Q04206
Assay: Binding affinity to human RELA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 344.56 nM (pChEMBL 6.460000038146973)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein RER1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15258
Assay: Binding affinity to human RER1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3972.39 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: Protein RER1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15258
Assay: Binding affinity to human RER1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3972.39 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: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: Binding affinity to human RET incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.777 nM (pChEMBL 8.5600004196167)
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: Proto-oncogene tyrosine-protein kinase receptor Ret (SINGLE PROTEIN), Homo sapiens
UniProt: P07949
Assay: Binding affinity to human RET incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.302 nM (pChEMBL 8.199999809265137)
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: Replication factor C subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40938
Assay: Binding affinity to human RFC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.52 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: Replication factor C subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P40938
Assay: Binding affinity to human RFC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50.52 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: Replication factor C subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P35249
Assay: Binding affinity to human RFC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1670.69 nM (pChEMBL 5.78000020980835)
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: Replication factor C subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P35249
Assay: Binding affinity to human RFC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1670.69 nM (pChEMBL 5.78000020980835)
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: Raftlin (SINGLE PROTEIN), Homo sapiens
UniProt: Q14699
Assay: Binding affinity to human RFTN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6328.65 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: Raftlin (SINGLE PROTEIN), Homo sapiens
UniProt: Q14699
Assay: Binding affinity to human RFTN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6328.65 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: Mitochondrial Rho GTPase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IXI1
Assay: Binding affinity to human RHOT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 96982.81 nM (pChEMBL 4.010000228881836)
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: Mitochondrial Rho GTPase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IXI1
Assay: Binding affinity to human RHOT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 96982.81 nM (pChEMBL 4.010000228881836)
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: Telomere-associated protein RIF1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5UIP0
Assay: Binding affinity to human RIF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3462.46 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Telomere-associated protein RIF1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5UIP0
Assay: Binding affinity to human RIF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3462.46 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Receptor-interacting serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43353
Assay: Binding affinity to human RIPK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20.47 nM (pChEMBL 7.690000057220459)
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: Receptor-interacting serine/threonine-protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43353
Assay: Binding affinity to human RIPK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 72.95 nM (pChEMBL 7.139999866485596)
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: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Binding affinity to human RIPK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5640.47 nM (pChEMBL 5.25)
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: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Binding affinity to human RIPK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6307.99 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: Receptor-interacting serine/threonine-protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y572
Assay: Binding affinity to human RIPK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5623.41 nM (pChEMBL 5.25)
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: E3 ubiquitin-protein ligase RNF10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N5U6
Assay: Binding affinity to human RNF10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16661.61 nM (pChEMBL 4.78000020980835)
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: E3 ubiquitin-protein ligase RNF10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N5U6
Assay: Binding affinity to human RNF10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16661.61 nM (pChEMBL 4.78000020980835)
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: E3 ubiquitin-protein ligase RNF213 (SINGLE PROTEIN), Homo sapiens
UniProt: Q63HN8
Assay: Binding affinity to human RNF213 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 595.25 nM (pChEMBL 6.21999979019165)
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: E3 ubiquitin-protein ligase RNF213 (SINGLE PROTEIN), Homo sapiens
UniProt: Q63HN8
Assay: Binding affinity to human RNF213 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 595.25 nM (pChEMBL 6.21999979019165)
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: Ribonuclease H1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60930
Assay: Binding affinity to human RNH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 384846.22 nM (pChEMBL 3.4200000762939453)
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: Aminopeptidase B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4A4
Assay: Binding affinity to human RNPEP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 41.75 nM (pChEMBL 7.380000114440918)
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: Aminopeptidase B (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4A4
Assay: Binding affinity to human RNPEP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 41.75 nM (pChEMBL 7.380000114440918)
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: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: Binding affinity to human ROCK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2030.4 nM (pChEMBL 5.690000057220459)
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: Rho-associated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13464
Assay: Binding affinity to human ROCK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2232.82 nM (pChEMBL 5.650000095367432)
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: Rho-associated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75116
Assay: Binding affinity to human ROCK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 377.06 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: Rho-associated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O75116
Assay: Binding affinity to human ROCK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 432.48 nM (pChEMBL 6.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32