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: Palmitoyl-protein thioesterase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P50897
Assay: Binding affinity to human PPT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30722.9 nM (pChEMBL 4.510000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lysosomal Pro-X carboxypeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: P42785
Assay: Binding affinity to human PRCP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6753.4 nM (pChEMBL 5.170000076293945)
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: Lysosomal Pro-X carboxypeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: P42785
Assay: Binding affinity to human PRCP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6753.4 nM (pChEMBL 5.170000076293945)
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: Peroxiredoxin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06830
Assay: Binding affinity to human PRDX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 45.85 nM (pChEMBL 7.340000152587891)
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: Peroxiredoxin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06830
Assay: Binding affinity to human PRDX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 45.85 nM (pChEMBL 7.340000152587891)
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: Peroxiredoxin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P32119
Assay: Binding affinity to human PRDX2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7995.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Peroxiredoxin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P32119
Assay: Binding affinity to human PRDX2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7995.28 nM (pChEMBL 5.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Thioredoxin-dependent peroxide reductase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P30048
Assay: Binding affinity to human PRDX3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 164.46 nM (pChEMBL 6.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Thioredoxin-dependent peroxide reductase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P30048
Assay: Binding affinity to human PRDX3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 164.46 nM (pChEMBL 6.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Peroxiredoxin-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13162
Assay: Binding affinity to human PRDX4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2733.02 nM (pChEMBL 5.559999942779541)
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: Peroxiredoxin-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13162
Assay: Binding affinity to human PRDX4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2733.02 nM (pChEMBL 5.559999942779541)
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: Peroxiredoxin-6 (SINGLE PROTEIN), Homo sapiens
UniProt: P30041
Assay: Binding affinity to human PRDX6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 66175.54 nM (pChEMBL 4.179999828338623)
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: Peroxiredoxin-6 (SINGLE PROTEIN), Homo sapiens
UniProt: P30041
Assay: Binding affinity to human PRDX6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 66175.54 nM (pChEMBL 4.179999828338623)
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: 5'-AMP-activated protein kinase catalytic subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13131
Assay: Binding affinity to human PRKAA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8401.72 nM (pChEMBL 5.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13131
Assay: Binding affinity to human PRKAA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13172.75 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: 5'-AMP-activated protein kinase subunit beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y478
Assay: Binding affinity to human PRKAB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2151.22 nM (pChEMBL 5.670000076293945)
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: 5'-AMP-activated protein kinase subunit beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y478
Assay: Binding affinity to human PRKAB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3249.24 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: 5'-AMP-activated protein kinase subunit beta-2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43741
Assay: Binding affinity to human PRKAB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 31.68 nM (pChEMBL 7.5)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase subunit beta-2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43741
Assay: Binding affinity to human PRKAB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.71 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: cAMP-dependent protein kinase catalytic subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P17612
Assay: Binding affinity to human PRKACA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12905100.89 nM (pChEMBL 1.8899999856948853)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P22694
Assay: Binding affinity to human PRKACB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1724.8 nM (pChEMBL 5.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P22694
Assay: Binding affinity to human PRKACB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3646.65 nM (pChEMBL 5.440000057220459)
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: cAMP-dependent protein kinase catalytic subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P22612
Assay: Binding affinity to human PRKACG incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 633.73 nM (pChEMBL 6.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase catalytic subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: P22612
Assay: Binding affinity to human PRKACG incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1234.38 nM (pChEMBL 5.909999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase subunit gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P54619
Assay: Binding affinity to human PRKAG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1975.17 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: 5'-AMP-activated protein kinase subunit gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P54619
Assay: Binding affinity to human PRKAG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3120.97 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: 5'-AMP-activated protein kinase subunit gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UGJ0
Assay: Binding affinity to human PRKAG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 36997.03 nM (pChEMBL 4.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 5'-AMP-activated protein kinase subunit gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UGJ0
Assay: Binding affinity to human PRKAG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57375.92 nM (pChEMBL 4.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase type II-alpha regulatory subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P13861
Assay: Binding affinity to human PRKAR2A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8244.22 nM (pChEMBL 5.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: cAMP-dependent protein kinase type II-alpha regulatory subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P13861
Assay: Binding affinity to human PRKAR2A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8244.22 nM (pChEMBL 5.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein kinase C alpha type (SINGLE PROTEIN), Homo sapiens
UniProt: P17252
Assay: Binding affinity to human PRKCA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 110.15 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein kinase C alpha type (SINGLE PROTEIN), Homo sapiens
UniProt: P17252
Assay: Binding affinity to human PRKCA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 151.27 nM (pChEMBL 6.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein kinase C beta type (SINGLE PROTEIN), Homo sapiens
UniProt: P05771
Assay: Binding affinity to human PRKCB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8714.48 nM (pChEMBL 5.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein kinase C beta type (SINGLE PROTEIN), Homo sapiens
UniProt: P05771
Assay: Binding affinity to human PRKCB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10921.52 nM (pChEMBL 4.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein kinase C delta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05655
Assay: Binding affinity to human PRKCD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3610.01 nM (pChEMBL 5.440000057220459)
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: Protein kinase C delta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q05655
Assay: Binding affinity to human PRKCD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3811.62 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: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Binding affinity to human PRKCI incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 173.56 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: Protein kinase C iota type (SINGLE PROTEIN), Homo sapiens
UniProt: P41743
Assay: Binding affinity to human PRKCI incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 173.56 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: Protein kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Binding affinity to human PRKCQ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.589 nM (pChEMBL 8.59000015258789)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 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 kinase C theta type (SINGLE PROTEIN), Homo sapiens
UniProt: Q04759
Assay: Binding affinity to human PRKCQ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.589 nM (pChEMBL 8.59000015258789)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 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 D2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZL6
Assay: Binding affinity to human PRKD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 322.75 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: Serine/threonine-protein kinase D2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZL6
Assay: Binding affinity to human PRKD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 489.65 nM (pChEMBL 6.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase D3 (SINGLE PROTEIN), Homo sapiens
UniProt: O94806
Assay: Binding affinity to human PRKD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 72.37 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: Serine/threonine-protein kinase D3 (SINGLE PROTEIN), Homo sapiens
UniProt: O94806
Assay: Binding affinity to human PRKD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 97.77 nM (pChEMBL 7.010000228881836)
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: DNA-dependent protein kinase catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P78527
Assay: Binding affinity to human PRKDC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 288.42 nM (pChEMBL 6.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: DNA-dependent protein kinase catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P78527
Assay: Binding affinity to human PRKDC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 288.42 nM (pChEMBL 6.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: cGMP-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13976
Assay: Binding affinity to human PRKG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.245 nM (pChEMBL 8.899999618530273)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: cGMP-dependent protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13976
Assay: Binding affinity to human PRKG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.458 nM (pChEMBL 8.609999656677246)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 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 arginine N-methyltransferase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O14744
Assay: Binding affinity to human PRMT5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18244.47 nM (pChEMBL 4.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein arginine N-methyltransferase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O14744
Assay: Binding affinity to human PRMT5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18244.47 nM (pChEMBL 4.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Pre-mRNA-processing factor 40 homolog A (SINGLE PROTEIN), Homo sapiens
UniProt: O75400
Assay: Binding affinity to human PRPF40A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13.43 nM (pChEMBL 7.869999885559082)
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: Pre-mRNA-processing factor 40 homolog A (SINGLE PROTEIN), Homo sapiens
UniProt: O75400
Assay: Binding affinity to human PRPF40A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13.43 nM (pChEMBL 7.869999885559082)
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: Pre-mRNA-processing factor 6 (SINGLE PROTEIN), Homo sapiens
UniProt: O94906
Assay: Binding affinity to human PRPF6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 151370.76 nM (pChEMBL 3.819999933242798)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Pre-mRNA-processing-splicing factor 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6P2Q9
Assay: Binding affinity to human PRPF8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 93698.74 nM (pChEMBL 4.03000020980835)
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: Pre-mRNA-processing-splicing factor 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6P2Q9
Assay: Binding affinity to human PRPF8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 93698.74 nM (pChEMBL 4.03000020980835)
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: Peripherin (SINGLE PROTEIN), Homo sapiens
UniProt: P41219
Assay: Binding affinity to human PRPH incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 40.97 nM (pChEMBL 7.389999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Peripherin (SINGLE PROTEIN), Homo sapiens
UniProt: P41219
Assay: Binding affinity to human PRPH incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 178.27 nM (pChEMBL 6.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein PRRC2C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y520
Assay: Binding affinity to human PRRC2C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 246 nM (pChEMBL 6.610000133514404)
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: Protein PRRC2C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y520
Assay: Binding affinity to human PRRC2C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 246 nM (pChEMBL 6.610000133514404)
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: Proteasome subunit alpha type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25786
Assay: Binding affinity to human PSMA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10440.31 nM (pChEMBL 4.980000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Proteasome subunit alpha type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25786
Assay: Binding affinity to human PSMA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10440.31 nM (pChEMBL 4.980000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Proteasome subunit alpha type-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25788
Assay: Binding affinity to human PSMA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26046.42 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: Proteasome subunit alpha type-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25788
Assay: Binding affinity to human PSMA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26046.42 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: Proteasome subunit alpha type-4 (SINGLE PROTEIN), Homo sapiens
UniProt: P25789
Assay: Binding affinity to human PSMA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 150.88 nM (pChEMBL 6.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Proteasome subunit alpha type-4 (SINGLE PROTEIN), Homo sapiens
UniProt: P25789
Assay: Binding affinity to human PSMA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 150.88 nM (pChEMBL 6.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Proteasome subunit alpha type-5 (SINGLE PROTEIN), Homo sapiens
UniProt: P28066
Assay: Binding affinity to human PSMA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2112.9 nM (pChEMBL 5.670000076293945)
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: Proteasome subunit alpha type-5 (SINGLE PROTEIN), Homo sapiens
UniProt: P28066
Assay: Binding affinity to human PSMA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2112.9 nM (pChEMBL 5.670000076293945)
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: Proteasome subunit alpha type-6 (SINGLE PROTEIN), Homo sapiens
UniProt: P60900
Assay: Binding affinity to human PSMA6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3599.64 nM (pChEMBL 5.440000057220459)
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: Proteasome subunit alpha type-6 (SINGLE PROTEIN), Homo sapiens
UniProt: P60900
Assay: Binding affinity to human PSMA6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3599.64 nM (pChEMBL 5.440000057220459)
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: Proteasome subunit alpha type-7 (SINGLE PROTEIN), Homo sapiens
UniProt: O14818
Assay: Binding affinity to human PSMA7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 94206.46 nM (pChEMBL 4.03000020980835)
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: Proteasome subunit alpha type-7 (SINGLE PROTEIN), Homo sapiens
UniProt: O14818
Assay: Binding affinity to human PSMA7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 94206.46 nM (pChEMBL 4.03000020980835)
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: Proteasome Macropain subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P49721
Assay: Binding affinity to human PSMB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3310.17 nM (pChEMBL 5.480000019073486)
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: Proteasome Macropain subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P49721
Assay: Binding affinity to human PSMB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3310.17 nM (pChEMBL 5.480000019073486)
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: 26S proteasome regulatory subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P62191
Assay: Binding affinity to human PSMC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 91764.41 nM (pChEMBL 4.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 26S proteasome regulatory subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P62191
Assay: Binding affinity to human PSMC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 91764.41 nM (pChEMBL 4.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 26S proteasome regulatory subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P35998
Assay: Binding affinity to human PSMC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 84144 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 26S proteasome regulatory subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P35998
Assay: Binding affinity to human PSMC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 84144 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 26S proteasome regulatory subunit 6A (SINGLE PROTEIN), Homo sapiens
UniProt: P17980
Assay: Binding affinity to human PSMC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7624.65 nM (pChEMBL 5.119999885559082)
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: 26S proteasome regulatory subunit 6A (SINGLE PROTEIN), Homo sapiens
UniProt: P17980
Assay: Binding affinity to human PSMC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7624.65 nM (pChEMBL 5.119999885559082)
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: 26S proteasome regulatory subunit 6B (SINGLE PROTEIN), Homo sapiens
UniProt: P43686
Assay: Binding affinity to human PSMC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6143.7 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: 26S proteasome regulatory subunit 6B (SINGLE PROTEIN), Homo sapiens
UniProt: P43686
Assay: Binding affinity to human PSMC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6143.7 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: 26S proteasome regulatory subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P62195
Assay: Binding affinity to human PSMC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7397.76 nM (pChEMBL 5.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 26S proteasome regulatory subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P62195
Assay: Binding affinity to human PSMC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7397.76 nM (pChEMBL 5.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 26S proteasome regulatory subunit 10B (SINGLE PROTEIN), Homo sapiens
UniProt: P62333
Assay: Binding affinity to human PSMC6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 43431.41 nM (pChEMBL 4.360000133514404)
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: 26S proteasome regulatory subunit 10B (SINGLE PROTEIN), Homo sapiens
UniProt: P62333
Assay: Binding affinity to human PSMC6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 43431.41 nM (pChEMBL 4.360000133514404)
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: 26S proteasome non-ATPase regulatory subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99460
Assay: Binding affinity to human PSMD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13.81 nM (pChEMBL 7.860000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 26S proteasome non-ATPase regulatory subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99460
Assay: Binding affinity to human PSMD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13.81 nM (pChEMBL 7.860000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 26S proteasome non-ATPase regulatory subunit 12 (SINGLE PROTEIN), Homo sapiens
UniProt: O00232
Assay: Binding affinity to human PSMD12 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3195.57 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: 26S proteasome non-ATPase regulatory subunit 12 (SINGLE PROTEIN), Homo sapiens
UniProt: O00232
Assay: Binding affinity to human PSMD12 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3195.57 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: 26S proteasome non-ATPase regulatory subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13200
Assay: Binding affinity to human PSMD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3141.72 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: 26S proteasome non-ATPase regulatory subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13200
Assay: Binding affinity to human PSMD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3141.72 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: 26S proteasome non-ATPase regulatory subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43242
Assay: Binding affinity to human PSMD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6216.06 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: 26S proteasome non-ATPase regulatory subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43242
Assay: Binding affinity to human PSMD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6216.06 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: 26S proteasome non-ATPase regulatory subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P51665
Assay: Binding affinity to human PSMD7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4123.74 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: 26S proteasome non-ATPase regulatory subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P51665
Assay: Binding affinity to human PSMD7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4123.74 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: 26S proteasome non-ATPase regulatory subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P48556
Assay: Binding affinity to human PSMD8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8898.65 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: 26S proteasome non-ATPase regulatory subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P48556
Assay: Binding affinity to human PSMD8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8898.65 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: Proteasome activator complex subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q06323
Assay: Binding affinity to human PSME1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2566983.48 nM (pChEMBL 2.5899999141693115)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Proteasome activator complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UL46
Assay: Binding affinity to human PSME2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1063.49 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: Proteasome activator complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UL46
Assay: Binding affinity to human PSME2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1063.49 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: Protein prenyltransferase alpha subunit repeat-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z6K3
Assay: Binding affinity to human PTAR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15.48 nM (pChEMBL 7.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein prenyltransferase alpha subunit repeat-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z6K3
Assay: Binding affinity to human PTAR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15.52 nM (pChEMBL 7.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Polypyrimidine tract-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P26599
Assay: Binding affinity to human PTBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3121.66 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: Polypyrimidine tract-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P26599
Assay: Binding affinity to human PTBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3121.66 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: Phosphatidylserine synthase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48651
Assay: Binding affinity to human PTDSS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6327.76 nM (pChEMBL 5.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Phosphatidylserine synthase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P48651
Assay: Binding affinity to human PTDSS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6643.5 nM (pChEMBL 5.179999828338623)
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: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Binding affinity to human PTK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4223.85 nM (pChEMBL 5.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Focal adhesion kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05397
Assay: Binding affinity to human PTK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10352.43 nM (pChEMBL 4.989999771118164)
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: Protein-tyrosine kinase 2-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q14289
Assay: Binding affinity to human PTK2B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 179.59 nM (pChEMBL 6.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 2-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q14289
Assay: Binding affinity to human PTK2B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 433.19 nM (pChEMBL 6.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein-tyrosine kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13882
Assay: Binding affinity to human PTK6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2875.71 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: Protein-tyrosine kinase 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13882
Assay: Binding affinity to human PTK6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5952.86 nM (pChEMBL 5.21999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Prothymosin alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P06454
Assay: Binding affinity to human PTMA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11096.91 nM (pChEMBL 4.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32