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: Vacuolar protein sorting-associated protein 35 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96QK1
Assay: Binding affinity to human VPS35 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15674.31 nM (pChEMBL 4.800000190734863)
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: Vacuolar protein sorting-associated protein 35 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96QK1
Assay: Binding affinity to human VPS35 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15674.31 nM (pChEMBL 4.800000190734863)
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: Tryptophan--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P23381
Assay: Binding affinity to human WARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16.29 nM (pChEMBL 7.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tryptophan--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P23381
Assay: Binding affinity to human WARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16.29 nM (pChEMBL 7.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: WD repeat-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75083
Assay: Binding affinity to human WDR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2687.52 nM (pChEMBL 5.570000171661377)
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: WD repeat-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75083
Assay: Binding affinity to human WDR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2687.52 nM (pChEMBL 5.570000171661377)
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: WD repeat-containing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P61964
Assay: Binding affinity to human WDR5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.75 nM (pChEMBL 7.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, 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: WD repeat-containing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P61964
Assay: Binding affinity to human WDR5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.75 nM (pChEMBL 7.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, 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: Wee1-like protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P30291
Assay: Binding affinity to human WEE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19.71 nM (pChEMBL 7.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Wee1-like protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P30291
Assay: Binding affinity to human WEE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 31.14 nM (pChEMBL 7.510000228881836)
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: Wolframin (SINGLE PROTEIN), Homo sapiens
UniProt: O76024
Assay: Binding affinity to human WFS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2666.74 nM (pChEMBL 5.570000171661377)
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: Wolframin (SINGLE PROTEIN), Homo sapiens
UniProt: O76024
Assay: Binding affinity to human WFS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2666.74 nM (pChEMBL 5.570000171661377)
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: Exportin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14980
Assay: Binding affinity to human XPO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 214.19 nM (pChEMBL 6.670000076293945)
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: Exportin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14980
Assay: Binding affinity to human XPO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 214.19 nM (pChEMBL 6.670000076293945)
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: Exportin-5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAV4
Assay: Binding affinity to human XPO5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 47.5 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: Exportin-5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAV4
Assay: Binding affinity to human XPO5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 47.5 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: Exportin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UIA9
Assay: Binding affinity to human XPO7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 51.68 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Exportin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UIA9
Assay: Binding affinity to human XPO7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 51.68 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Exportin-T (SINGLE PROTEIN), Homo sapiens
UniProt: O43592
Assay: Binding affinity to human XPOT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1216.3 nM (pChEMBL 5.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Exportin-T (SINGLE PROTEIN), Homo sapiens
UniProt: O43592
Assay: Binding affinity to human XPOT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1216.3 nM (pChEMBL 5.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: X-ray repair cross-complementing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P13010
Assay: Binding affinity to human XRCC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26.44 nM (pChEMBL 7.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: X-ray repair cross-complementing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P13010
Assay: Binding affinity to human XRCC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26.44 nM (pChEMBL 7.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: X-ray repair cross-complementing protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P12956
Assay: Binding affinity to human XRCC6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 35.81 nM (pChEMBL 7.449999809265137)
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: X-ray repair cross-complementing protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P12956
Assay: Binding affinity to human XRCC6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 35.81 nM (pChEMBL 7.449999809265137)
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: 5'-3' exoribonuclease 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0D6
Assay: Binding affinity to human XRN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 547.08 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 5'-3' exoribonuclease 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0D6
Assay: Binding affinity to human XRN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 547.08 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tyrosine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P54577
Assay: Binding affinity to human YARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 156.66 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: Tyrosine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P54577
Assay: Binding affinity to human YARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 156.66 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: Tyrosine-protein kinase Yes (SINGLE PROTEIN), Homo sapiens
UniProt: P07947
Assay: Binding affinity to human YES1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1064.08 nM (pChEMBL 5.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Yes (SINGLE PROTEIN), Homo sapiens
UniProt: P07947
Assay: Binding affinity to human YES1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2575.41 nM (pChEMBL 5.590000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein YIPF5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q969M3
Assay: Binding affinity to human YIPF5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1937.01 nM (pChEMBL 5.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein YIPF5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q969M3
Assay: Binding affinity to human YIPF5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1937.01 nM (pChEMBL 5.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 14-3-3 protein beta/alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P31946
Assay: Binding affinity to human YWHAB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27290.42 nM (pChEMBL 4.559999942779541)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 14-3-3 protein beta/alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P31946
Assay: Binding affinity to human YWHAB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27290.42 nM (pChEMBL 4.559999942779541)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 14-3-3 protein epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: P62258
Assay: Binding affinity to human YWHAE incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6151.5 nM (pChEMBL 5.210000038146973)
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: 14-3-3 protein epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: P62258
Assay: Binding affinity to human YWHAE incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6151.5 nM (pChEMBL 5.210000038146973)
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: 14-3-3 protein gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P61981
Assay: Binding affinity to human YWHAG incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.41 nM (pChEMBL 8.359999656677246)
Descriptors: MW 503.49, ALogP 5.75, 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: 14-3-3 protein gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P61981
Assay: Binding affinity to human YWHAG incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.485 nM (pChEMBL 8.350000381469727)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 14-3-3 protein eta (SINGLE PROTEIN), Homo sapiens
UniProt: Q04917
Assay: Binding affinity to human YWHAH incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20.86 nM (pChEMBL 7.679999828338623)
Descriptors: MW 503.49, ALogP 5.75, 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: 14-3-3 protein eta (SINGLE PROTEIN), Homo sapiens
UniProt: Q04917
Assay: Binding affinity to human YWHAH incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21.7 nM (pChEMBL 7.659999847412109)
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: 14-3-3 protein theta (SINGLE PROTEIN), Homo sapiens
UniProt: P27348
Assay: Binding affinity to human YWHAQ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20.15 nM (pChEMBL 7.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, 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: 14-3-3 protein theta (SINGLE PROTEIN), Homo sapiens
UniProt: P27348
Assay: Binding affinity to human YWHAQ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21.11 nM (pChEMBL 7.679999828338623)
Descriptors: MW 503.49, ALogP 5.75, 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: 14-3-3 protein zeta/delta (SINGLE PROTEIN), Homo sapiens
UniProt: P63104
Assay: Binding affinity to human YWHAZ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.526 nM (pChEMBL 8.34000015258789)
Descriptors: MW 503.49, ALogP 5.75, 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: 14-3-3 protein zeta/delta (SINGLE PROTEIN), Homo sapiens
UniProt: P63104
Assay: Binding affinity to human YWHAZ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.526 nM (pChEMBL 8.34000015258789)
Descriptors: MW 503.49, ALogP 5.75, 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: Mitogen-activated protein kinase kinase kinase 20 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYL2
Assay: Binding affinity to human ZAK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 676.08 nM (pChEMBL 6.170000076293945)
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: Mitogen-activated protein kinase kinase kinase 20 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYL2
Assay: Binding affinity to human ZAK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 674.15 nM (pChEMBL 6.170000076293945)
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: Mitogen-activated protein kinase kinase kinase 20 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYL2
Assay: Binding affinity to human ZAK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 906.61 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Zinc finger CCCH domain-containing protein 11A (SINGLE PROTEIN), Homo sapiens
UniProt: O75152
Assay: Binding affinity to human ZC3H11A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 148.77 nM (pChEMBL 6.829999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Zinc finger CCCH domain-containing protein 11A (SINGLE PROTEIN), Homo sapiens
UniProt: O75152
Assay: Binding affinity to human ZC3H11A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 148.77 nM (pChEMBL 6.829999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Zinc finger CCCH-type antiviral protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z2W4
Assay: Binding affinity to human ZC3HAV1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13250.23 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: Zinc finger CCCH-type antiviral protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z2W4
Assay: Binding affinity to human ZC3HAV1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13250.23 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: Zinc finger protein with KRAB and SCAN domains 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q63HK3
Assay: Binding affinity to human ZKSCAN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 931.63 nM (pChEMBL 6.03000020980835)
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: Zinc finger protein with KRAB and SCAN domains 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q63HK3
Assay: Binding affinity to human ZKSCAN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 931.63 nM (pChEMBL 6.03000020980835)
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: Zona pellucida sperm-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P60852
Assay: Binding affinity to human ZP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.409 nM (pChEMBL 8.619999885559082)
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: Zona pellucida sperm-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P60852
Assay: Binding affinity to human ZP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.409 nM (pChEMBL 8.619999885559082)
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: Centromere/kinetochore protein zw10 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: O43264
Assay: Binding affinity to human ZW10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2901.28 nM (pChEMBL 5.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Centromere/kinetochore protein zw10 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: O43264
Assay: Binding affinity to human ZW10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2901.28 nM (pChEMBL 5.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP-binding cassette sub-family F member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UG63
Assay: Binding affinity to human ABCF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5467.84 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: ATP-binding cassette sub-family F member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UG63
Assay: Binding affinity to human ABCF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5467.84 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: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Binding affinity to human ACACB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 164.79 nM (pChEMBL 6.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Acetyl-CoA carboxylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O00763
Assay: Binding affinity to human ACACB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 174.97 nM (pChEMBL 6.760000228881836)
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: Complex I assembly factor ACAD9, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H845
Assay: Binding affinity to human ACAD9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 42803.89 nM (pChEMBL 4.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Complex I assembly factor ACAD9, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H845
Assay: Binding affinity to human ACAD9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 42803.89 nM (pChEMBL 4.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Uncharacterized aarF domain-containing protein kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q3MIX3
Assay: Binding affinity to human ADCK5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1153694.42 nM (pChEMBL 2.940000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Aldo-keto reductase family 1 member D1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51857
Assay: Binding affinity to human AKR1D1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 71.92 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Aldo-keto reductase family 1 member D1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51857
Assay: Binding affinity to human AKR1D1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 71.92 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Binding affinity to human ALK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.218 nM (pChEMBL 8.90999984741211)
Descriptors: MW 503.49, ALogP 5.75, 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: ALK tyrosine kinase receptor (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UM73
Assay: Binding affinity to human ALK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.432 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: AP-1 complex subunit sigma-1A (SINGLE PROTEIN), Homo sapiens
UniProt: P61966
Assay: Binding affinity to human AP1S1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 162.96 nM (pChEMBL 6.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: AP-1 complex subunit sigma-1A (SINGLE PROTEIN), Homo sapiens
UniProt: P61966
Assay: Binding affinity to human AP1S1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 162.96 nM (pChEMBL 6.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Arfaptin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P53365
Assay: Binding affinity to human ARFIP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 210833.36 nM (pChEMBL 3.680000066757202)
Descriptors: MW 503.49, ALogP 5.75, 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: Rho guanine nucleotide exchange factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92888
Assay: Binding affinity to human ARHGEF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1699.87 nM (pChEMBL 5.769999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Rho guanine nucleotide exchange factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92888
Assay: Binding affinity to human ARHGEF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1699.87 nM (pChEMBL 5.769999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Aspartyl/asparaginyl beta-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q12797
Assay: Binding affinity to human ASPH incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 227.22 nM (pChEMBL 6.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Aspartyl/asparaginyl beta-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: Q12797
Assay: Binding affinity to human ASPH incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 227.22 nM (pChEMBL 6.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: V-type proton ATPase 16 kDa proteolipid subunit c (SINGLE PROTEIN), Homo sapiens
UniProt: P27449
Assay: Binding affinity to human ATP6V0C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2461.72 nM (pChEMBL 5.610000133514404)
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: V-type proton ATPase 16 kDa proteolipid subunit c (SINGLE PROTEIN), Homo sapiens
UniProt: P27449
Assay: Binding affinity to human ATP6V0C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2695.47 nM (pChEMBL 5.570000171661377)
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: BAG family molecular chaperone regulator 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95816
Assay: Binding affinity to human BAG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.66 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: BAG family molecular chaperone regulator 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95816
Assay: Binding affinity to human BAG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18.78 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: Serine hydrolase BPHL (SINGLE PROTEIN), Homo sapiens
UniProt: Q86WA6
Assay: Binding affinity to human BPHL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13151.78 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: Serine hydrolase BPHL (SINGLE PROTEIN), Homo sapiens
UniProt: Q86WA6
Assay: Binding affinity to human BPHL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13151.78 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: RNA transcription, translation and transport factor protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y224
Assay: Binding affinity to human C14orf166 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 36651.72 nM (pChEMBL 4.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: RNA transcription, translation and transport factor protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y224
Assay: Binding affinity to human C14orf166 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 38601.54 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Complement component 1 Q subcomponent-binding protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q07021
Assay: Binding affinity to human C1QBP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 34.81 nM (pChEMBL 7.460000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Complement component 1 Q subcomponent-binding protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q07021
Assay: Binding affinity to human C1QBP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 34.81 nM (pChEMBL 7.460000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Caspase recruitment domain-containing protein 19 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96LW7
Assay: Binding affinity to human C9orf89 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 329.32 nM (pChEMBL 6.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, 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: Caspase recruitment domain-containing protein 19 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96LW7
Assay: Binding affinity to human C9orf89 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 329.32 nM (pChEMBL 6.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, 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: Calcium-binding and coiled-coil domain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13137
Assay: Binding affinity to human CALCOCO2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 666.92 nM (pChEMBL 6.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, 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: Calcium-binding and coiled-coil domain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13137
Assay: Binding affinity to human CALCOCO2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 675.47 nM (pChEMBL 6.170000076293945)
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: CCAAT/enhancer-binding protein zeta (SINGLE PROTEIN), Homo sapiens
UniProt: Q03701
Assay: Binding affinity to human CEBPZ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3243.12 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: CCAAT/enhancer-binding protein zeta (SINGLE PROTEIN), Homo sapiens
UniProt: Q03701
Assay: Binding affinity to human CEBPZ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3243.12 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: Dual specificity protein kinase CLK4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAZ1
Assay: Binding affinity to human CLK4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 676004.05 nM (pChEMBL 3.1700000762939453)
Descriptors: MW 503.49, ALogP 5.75, 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: Lipid scramblase CLPTM1L (SINGLE PROTEIN), Homo sapiens
UniProt: Q96KA5
Assay: Binding affinity to human CLPTM1L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8.156 nM (pChEMBL 8.09000015258789)
Descriptors: MW 503.49, ALogP 5.75, 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: Lipid scramblase CLPTM1L (SINGLE PROTEIN), Homo sapiens
UniProt: Q96KA5
Assay: Binding affinity to human CLPTM1L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8.156 nM (pChEMBL 8.09000015258789)
Descriptors: MW 503.49, ALogP 5.75, 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: Conserved oligomeric Golgi complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14746
Assay: Binding affinity to human COG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3452.43 nM (pChEMBL 5.460000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14746
Assay: Binding affinity to human COG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3452.43 nM (pChEMBL 5.460000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cytochrome c oxidase assembly protein COX14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96I36
Assay: Binding affinity to human COX14 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.956 nM (pChEMBL 8.300000190734863)
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: Cytochrome c oxidase assembly protein COX14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96I36
Assay: Binding affinity to human COX14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.956 nM (pChEMBL 8.300000190734863)
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: Copine-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96A23
Assay: Binding affinity to human CPNE4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8.672 nM (pChEMBL 8.0600004196167)
Descriptors: MW 503.49, ALogP 5.75, 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: Copine-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96A23
Assay: Binding affinity to human CPNE4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8.672 nM (pChEMBL 8.0600004196167)
Descriptors: MW 503.49, ALogP 5.75, 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: Cleavage and polyadenylation specificity factor subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q10570
Assay: Binding affinity to human CPSF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.747 nM (pChEMBL 8.010000228881836)
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: Cleavage and polyadenylation specificity factor subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q10570
Assay: Binding affinity to human CPSF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11.83 nM (pChEMBL 7.929999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Rootletin (SINGLE PROTEIN), Homo sapiens
UniProt: Q5TZA2
Assay: Binding affinity to human CROCC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 106.7 nM (pChEMBL 6.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Rootletin (SINGLE PROTEIN), Homo sapiens
UniProt: Q5TZA2
Assay: Binding affinity to human CROCC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 115.37 nM (pChEMBL 6.940000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Centrosome and spindle pole-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q1MSJ5
Assay: Binding affinity to human CSPP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 810.79 nM (pChEMBL 6.090000152587891)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Centrosome and spindle pole-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q1MSJ5
Assay: Binding affinity to human CSPP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1405.76 nM (pChEMBL 5.849999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Transcriptional repressor CTCF (SINGLE PROTEIN), Homo sapiens
UniProt: P49711
Assay: Binding affinity to human CTCF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1988.05 nM (pChEMBL 5.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, 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: Transcriptional repressor CTCF (SINGLE PROTEIN), Homo sapiens
UniProt: P49711
Assay: Binding affinity to human CTCF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1988.05 nM (pChEMBL 5.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, 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: Cullin-5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q93034
Assay: Binding affinity to human CUL5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 463.54 nM (pChEMBL 6.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cullin-5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q93034
Assay: Binding affinity to human CUL5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 676.18 nM (pChEMBL 6.170000076293945)
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: Cytoplasmic FMR1-interacting protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96F07
Assay: Binding affinity to human CYFIP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6158.42 nM (pChEMBL 5.210000038146973)
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: Cytoplasmic FMR1-interacting protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96F07
Assay: Binding affinity to human CYFIP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6950.33 nM (pChEMBL 5.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O94760
Assay: Binding affinity to human DDAH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 61762.12 nM (pChEMBL 4.210000038146973)
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: N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O94760
Assay: Binding affinity to human DDAH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 61762.12 nM (pChEMBL 4.210000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32