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: F-actin-capping protein subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P52907
Assay: Binding affinity to human CAPZA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 311.47 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: F-actin-capping protein subunit alpha-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47755
Assay: Binding affinity to human CAPZA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3042.31 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: F-actin-capping protein subunit alpha-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P47755
Assay: Binding affinity to human CAPZA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3230.19 nM (pChEMBL 5.489999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: F-actin-capping protein subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P47756
Assay: Binding affinity to human CAPZB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8897.95 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: F-actin-capping protein subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P47756
Assay: Binding affinity to human CAPZB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8897.95 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: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Binding affinity to human CARM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 322.88 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone-arginine methyltransferase CARM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86X55
Assay: Binding affinity to human CARM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 335.14 nM (pChEMBL 6.46999979019165)
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: Coiled-coil domain-containing protein 22 (SINGLE PROTEIN), Homo sapiens
UniProt: O60826
Assay: Binding affinity to human CCDC22 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1246.41 nM (pChEMBL 5.900000095367432)
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: Coiled-coil domain-containing protein 22 (SINGLE PROTEIN), Homo sapiens
UniProt: O60826
Assay: Binding affinity to human CCDC22 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2253.03 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: PAT complex subunit CCDC47 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96A33
Assay: Binding affinity to human CCDC47 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 136.34 nM (pChEMBL 6.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: PAT complex subunit CCDC47 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96A33
Assay: Binding affinity to human CCDC47 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 136.34 nM (pChEMBL 6.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P20248
Assay: Binding affinity to human CCNA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4217.1 nM (pChEMBL 5.380000114440918)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P20248
Assay: Binding affinity to human CCNA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4892.57 nM (pChEMBL 5.309999942779541)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: G2/mitotic-specific cyclin-B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P14635
Assay: Binding affinity to human CCNB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 157.28 nM (pChEMBL 6.800000190734863)
Descriptors: MW 503.49, ALogP 5.75, 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: G2/mitotic-specific cyclin-B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P14635
Assay: Binding affinity to human CCNB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 205.26 nM (pChEMBL 6.690000057220459)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: G2/mitotic-specific cyclin-B2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95067
Assay: Binding affinity to human CCNB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2198.43 nM (pChEMBL 5.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, 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: G2/mitotic-specific cyclin-B2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95067
Assay: Binding affinity to human CCNB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3134.93 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: G1/S-specific cyclin-E1 (SINGLE PROTEIN), Homo sapiens
UniProt: P24864
Assay: Binding affinity to human CCNE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 74.76 nM (pChEMBL 7.130000114440918)
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: G1/S-specific cyclin-E1 (SINGLE PROTEIN), Homo sapiens
UniProt: P24864
Assay: Binding affinity to human CCNE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 102.57 nM (pChEMBL 6.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-H (SINGLE PROTEIN), Homo sapiens
UniProt: P51946
Assay: Binding affinity to human CCNH incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 41.93 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-H (SINGLE PROTEIN), Homo sapiens
UniProt: P51946
Assay: Binding affinity to human CCNH incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55.31 nM (pChEMBL 7.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-I (SINGLE PROTEIN), Homo sapiens
UniProt: Q14094
Assay: Binding affinity to human CCNI incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9830.1 nM (pChEMBL 5.010000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-I (SINGLE PROTEIN), Homo sapiens
UniProt: Q14094
Assay: Binding affinity to human CCNI incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26462.72 nM (pChEMBL 4.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-T1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60563
Assay: Binding affinity to human CCNT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16.51 nM (pChEMBL 7.78000020980835)
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: Cyclin-T1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60563
Assay: Binding affinity to human CCNT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16.79 nM (pChEMBL 7.78000020980835)
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: Cyclin-T2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60583
Assay: Binding affinity to human CCNT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11228.23 nM (pChEMBL 4.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-T2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60583
Assay: Binding affinity to human CCNT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12759.19 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: T-complex protein 1 subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P78371
Assay: Binding affinity to human CCT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.75 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: T-complex protein 1 subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P78371
Assay: Binding affinity to human CCT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.75 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: T-complex protein 1 subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P49368
Assay: Binding affinity to human CCT3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 64.37 nM (pChEMBL 7.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, 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: T-complex protein 1 subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P49368
Assay: Binding affinity to human CCT3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 64.37 nM (pChEMBL 7.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, 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: T-complex protein 1 subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: P50991
Assay: Binding affinity to human CCT4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1628.73 nM (pChEMBL 5.789999961853027)
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: T-complex protein 1 subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: P50991
Assay: Binding affinity to human CCT4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1628.73 nM (pChEMBL 5.789999961853027)
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: T-complex protein 1 subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: P48643
Assay: Binding affinity to human CCT5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.216 nM (pChEMBL 9.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, 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: T-complex protein 1 subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: P48643
Assay: Binding affinity to human CCT5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.216 nM (pChEMBL 9.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, 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: T-complex protein 1 subunit zeta (SINGLE PROTEIN), Homo sapiens
UniProt: P40227
Assay: Binding affinity to human CCT6A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5443.91 nM (pChEMBL 5.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: T-complex protein 1 subunit zeta (SINGLE PROTEIN), Homo sapiens
UniProt: P40227
Assay: Binding affinity to human CCT6A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5443.91 nM (pChEMBL 5.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: T-complex protein 1 subunit eta (SINGLE PROTEIN), Homo sapiens
UniProt: Q99832
Assay: Binding affinity to human CCT7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50299.25 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: T-complex protein 1 subunit eta (SINGLE PROTEIN), Homo sapiens
UniProt: Q99832
Assay: Binding affinity to human CCT7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50299.25 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: T-complex protein 1 subunit theta (SINGLE PROTEIN), Homo sapiens
UniProt: P50990
Assay: Binding affinity to human CCT8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18.64 nM (pChEMBL 7.730000019073486)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: T-complex protein 1 subunit theta (SINGLE PROTEIN), Homo sapiens
UniProt: P50990
Assay: Binding affinity to human CCT8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18.64 nM (pChEMBL 7.730000019073486)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cell division cycle protein 23 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UJX2
Assay: Binding affinity to human CDC23 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 53.52 nM (pChEMBL 7.269999980926514)
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: Cell division cycle protein 23 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UJX2
Assay: Binding affinity to human CDC23 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53.52 nM (pChEMBL 7.269999980926514)
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: Hsp90 co-chaperone Cdc37 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16543
Assay: Binding affinity to human CDC37 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3548.56 nM (pChEMBL 5.449999809265137)
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: Hsp90 co-chaperone Cdc37 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16543
Assay: Binding affinity to human CDC37 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3548.56 nM (pChEMBL 5.449999809265137)
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: Serine/threonine-protein kinase MRCK alpha (SINGLE PROTEIN), Homo sapiens
UniProt: Q5VT25
Assay: Binding affinity to human CDC42BPA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 111275.62 nM (pChEMBL 3.950000047683716)
Descriptors: MW 503.49, ALogP 5.75, 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 MRCK beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5S2
Assay: Binding affinity to human CDC42BPB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 623.02 nM (pChEMBL 6.210000038146973)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MRCK beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5S2
Assay: Binding affinity to human CDC42BPB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 641.1 nM (pChEMBL 6.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, 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 MRCK gamma (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DT37
Assay: Binding affinity to human CDC42BPG incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17548.78 nM (pChEMBL 4.760000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MRCK gamma (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DT37
Assay: Binding affinity to human CDC42BPG incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17548.78 nM (pChEMBL 4.760000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cell division cycle 5-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q99459
Assay: Binding affinity to human CDC5L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9844.07 nM (pChEMBL 5.010000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cell division cycle 5-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q99459
Assay: Binding affinity to human CDC5L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9844.07 nM (pChEMBL 5.010000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: Binding affinity to human CDC7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.172 nM (pChEMBL 8.930000305175781)
Descriptors: MW 503.49, ALogP 5.75, 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: Cell division cycle 7-related protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O00311
Assay: Binding affinity to human CDC7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.273 nM (pChEMBL 8.890000343322754)
Descriptors: MW 503.49, ALogP 5.75, 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: CDP-diacylglycerol--inositol 3-phosphatidyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: O14735
Assay: Binding affinity to human CDIPT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.993 nM (pChEMBL 9)
Descriptors: MW 503.49, ALogP 5.75, 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: CDP-diacylglycerol--inositol 3-phosphatidyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: O14735
Assay: Binding affinity to human CDIPT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.993 nM (pChEMBL 9)
Descriptors: MW 503.49, ALogP 5.75, 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: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Binding affinity to human CDK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2609.96 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P06493
Assay: Binding affinity to human CDK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3804.69 nM (pChEMBL 5.420000076293945)
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: Cyclin-dependent kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYV4
Assay: Binding affinity to human CDK12 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.032 nM (pChEMBL 8.989999771118164)
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: Cyclin-dependent kinase 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYV4
Assay: Binding affinity to human CDK12 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.032 nM (pChEMBL 8.989999771118164)
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: Cyclin-dependent kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14004
Assay: Binding affinity to human CDK13 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17840.54 nM (pChEMBL 4.75)
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: Cyclin-dependent kinase 13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14004
Assay: Binding affinity to human CDK13 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17840.54 nM (pChEMBL 4.75)
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: Cyclin-dependent kinase 16 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00536
Assay: Binding affinity to human CDK16 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3717.61 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: Cyclin-dependent kinase 16 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00536
Assay: Binding affinity to human CDK16 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3943.81 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 17 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00537
Assay: Binding affinity to human CDK17 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13101.56 nM (pChEMBL 4.880000114440918)
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: Cyclin-dependent kinase 17 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00537
Assay: Binding affinity to human CDK17 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13101.56 nM (pChEMBL 4.880000114440918)
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: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Binding affinity to human CDK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 25.3 nM (pChEMBL 7.599999904632568)
Descriptors: MW 503.49, ALogP 5.75, 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: Cyclin-dependent kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P24941
Assay: Binding affinity to human CDK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 47.51 nM (pChEMBL 7.320000171661377)
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: Cyclin-dependent kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00526
Assay: Binding affinity to human CDK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 133.59 nM (pChEMBL 6.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00526
Assay: Binding affinity to human CDK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 133.59 nM (pChEMBL 6.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P11802
Assay: Binding affinity to human CDK4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.606 nM (pChEMBL 9.220000267028809)
Descriptors: MW 503.49, ALogP 5.75, 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: Cyclin-dependent kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P11802
Assay: Binding affinity to human CDK4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.606 nM (pChEMBL 9.220000267028809)
Descriptors: MW 503.49, ALogP 5.75, 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: Cyclin-dependent kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00535
Assay: Binding affinity to human CDK5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2649.07 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00535
Assay: Binding affinity to human CDK5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5059.19 nM (pChEMBL 5.300000190734863)
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: Cyclin-dependent kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00534
Assay: Binding affinity to human CDK6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7260.96 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00534
Assay: Binding affinity to human CDK6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8856.39 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: Cyclin-dependent kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P50613
Assay: Binding affinity to human CDK7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 24.52 nM (pChEMBL 7.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, 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: Cyclin-dependent kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P50613
Assay: Binding affinity to human CDK7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 33.8 nM (pChEMBL 7.46999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P50750
Assay: Binding affinity to human CDK9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3271.29 nM (pChEMBL 5.489999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cyclin-dependent kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P50750
Assay: Binding affinity to human CDK9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4597.74 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: Cyclin-dependent kinase-like 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O76039
Assay: Binding affinity to human CDKL5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.44 nM (pChEMBL 8.84000015258789)
Descriptors: MW 503.49, ALogP 5.75, 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: Cyclin-dependent kinase-like 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O76039
Assay: Binding affinity to human CDKL5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.62 nM (pChEMBL 8.789999961853027)
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: Cerebellar degeneration-related protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q01850
Assay: Binding affinity to human CDR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9436.34 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: Cerebellar degeneration-related protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q01850
Assay: Binding affinity to human CDR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26181.52 nM (pChEMBL 4.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Phosphatidate cytidylyltransferase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95674
Assay: Binding affinity to human CDS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4334.06 nM (pChEMBL 5.360000133514404)
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: Phosphatidate cytidylyltransferase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95674
Assay: Binding affinity to human CDS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4334.06 nM (pChEMBL 5.360000133514404)
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: Choline/ethanolaminephosphotransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6K0
Assay: Binding affinity to human CEPT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.969 nM (pChEMBL 8.399999618530273)
Descriptors: MW 503.49, ALogP 5.75, 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: Choline/ethanolaminephosphotransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6K0
Assay: Binding affinity to human CEPT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.969 nM (pChEMBL 8.399999618530273)
Descriptors: MW 503.49, ALogP 5.75, 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: Ceramide synthase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96G23
Assay: Binding affinity to human CERS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 68.31 nM (pChEMBL 7.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, 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: Ceramide synthase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96G23
Assay: Binding affinity to human CERS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 68.31 nM (pChEMBL 7.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, 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: Cofilin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23528
Assay: Binding affinity to human CFL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7304.89 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cofilin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P23528
Assay: Binding affinity to human CFL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7304.89 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: MICOS complex subunit MIC19 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX63
Assay: Binding affinity to human CHCHD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27.14 nM (pChEMBL 7.570000171661377)
Descriptors: MW 503.49, ALogP 5.75, 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 MIC19 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX63
Assay: Binding affinity to human CHCHD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27.14 nM (pChEMBL 7.570000171661377)
Descriptors: MW 503.49, ALogP 5.75, 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: Chromodomain-helicase-DNA-binding protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14839
Assay: Binding affinity to human CHD4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.891 nM (pChEMBL 8.720000267028809)
Descriptors: MW 503.49, ALogP 5.75, 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: Chromodomain-helicase-DNA-binding protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14839
Assay: Binding affinity to human CHD4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.891 nM (pChEMBL 8.720000267028809)
Descriptors: MW 503.49, ALogP 5.75, 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 Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Binding affinity to human CHEK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1091.91 nM (pChEMBL 5.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Chk1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14757
Assay: Binding affinity to human CHEK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1323.81 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Anamorsin (SINGLE PROTEIN), Homo sapiens
UniProt: Q6FI81
Assay: Binding affinity to human CIAPIN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 67.28 nM (pChEMBL 7.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, 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: Anamorsin (SINGLE PROTEIN), Homo sapiens
UniProt: Q6FI81
Assay: Binding affinity to human CIAPIN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 67.28 nM (pChEMBL 7.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, 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: CDGSH iron-sulfur domain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N5K1
Assay: Binding affinity to human CISD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3103.73 nM (pChEMBL 5.510000228881836)
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: CDGSH iron-sulfur domain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N5K1
Assay: Binding affinity to human CISD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3103.73 nM (pChEMBL 5.510000228881836)
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: Citron Rho-interacting kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O14578
Assay: Binding affinity to human CIT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 771.31 nM (pChEMBL 6.110000133514404)
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: Citron Rho-interacting kinase (SINGLE PROTEIN), Homo sapiens
UniProt: O14578
Assay: Binding affinity to human CIT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 771.31 nM (pChEMBL 6.110000133514404)
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: Cytoskeleton-associated protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07065
Assay: Binding affinity to human CKAP4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.468 nM (pChEMBL 8.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cytoskeleton-associated protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q07065
Assay: Binding affinity to human CKAP4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.468 nM (pChEMBL 8.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Chloride intracellular channel protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00299
Assay: Binding affinity to human CLIC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 14310.41 nM (pChEMBL 4.840000152587891)
Descriptors: MW 503.49, ALogP 5.75, 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: Chloride intracellular channel protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00299
Assay: Binding affinity to human CLIC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14310.41 nM (pChEMBL 4.840000152587891)
Descriptors: MW 503.49, ALogP 5.75, 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: Chloride intracellular channel protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y696
Assay: Binding affinity to human CLIC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 237.44 nM (pChEMBL 6.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, 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: Chloride intracellular channel protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y696
Assay: Binding affinity to human CLIC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 237.44 nM (pChEMBL 6.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, 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: Dual specificity protein kinase CLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49759
Assay: Binding affinity to human CLK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23224.84 nM (pChEMBL 4.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49759
Assay: Binding affinity to human CLK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 32460.61 nM (pChEMBL 4.489999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: Binding affinity to human CLK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 75583.93 nM (pChEMBL 4.119999885559082)
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: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: Binding affinity to human CLK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 116849.62 nM (pChEMBL 3.930000066757202)
Descriptors: MW 503.49, ALogP 5.75, 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: Ceroid-lipofuscinosis neuronal protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWW5
Assay: Binding affinity to human CLN6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10749 nM (pChEMBL 4.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32