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: Glutathione S-transferase omega-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P78417
Assay: Binding affinity to human GSTO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4061.23 nM (pChEMBL 5.389999866485596)
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: Glutathione S-transferase omega-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P78417
Assay: Binding affinity to human GSTO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4061.23 nM (pChEMBL 5.389999866485596)
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: Glutathione S-transferase P (SINGLE PROTEIN), Homo sapiens
UniProt: P09211
Assay: Binding affinity to human GSTP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1702646.28 nM (pChEMBL 2.7699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 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 BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Binding affinity to human BTK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1960.87 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: Tyrosine-protein kinase BTK (SINGLE PROTEIN), Homo sapiens
UniProt: Q06187
Assay: Binding affinity to human BTK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5016.52 nM (pChEMBL 5.300000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RR4
Assay: Binding affinity to human CAMKK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 74.09 nM (pChEMBL 7.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RR4
Assay: Binding affinity to human CAMKK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 111.53 nM (pChEMBL 6.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: General transcription factor II-I (SINGLE PROTEIN), Homo sapiens
UniProt: P78347
Assay: Binding affinity to human GTF2I incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2771.79 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: General transcription factor II-I (SINGLE PROTEIN), Homo sapiens
UniProt: P78347
Assay: Binding affinity to human GTF2I incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2771.79 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: GTP-binding protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZE4
Assay: Binding affinity to human GTPBP4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2949.58 nM (pChEMBL 5.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: GTP-binding protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZE4
Assay: Binding affinity to human GTPBP4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2949.58 nM (pChEMBL 5.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone H1.0 (SINGLE PROTEIN), Homo sapiens
UniProt: P07305
Assay: Binding affinity to human H1F0 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 753.4 nM (pChEMBL 6.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone H1.0 (SINGLE PROTEIN), Homo sapiens
UniProt: P07305
Assay: Binding affinity to human H1F0 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 753.4 nM (pChEMBL 6.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone H1.10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92522
Assay: Binding affinity to human H1FX incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7239.53 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone H1.10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92522
Assay: Binding affinity to human H1FX incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7239.53 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P035
Assay: Binding affinity to human HACD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 210.28 nM (pChEMBL 6.679999828338623)
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: Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P035
Assay: Binding affinity to human HACD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 210.28 nM (pChEMBL 6.679999828338623)
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: Trifunctional enzyme subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P40939
Assay: Binding affinity to human HADHA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 877.11 nM (pChEMBL 6.059999942779541)
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: Trifunctional enzyme subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P40939
Assay: Binding affinity to human HADHA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 877.11 nM (pChEMBL 6.059999942779541)
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: Trifunctional enzyme subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P55084
Assay: Binding affinity to human HADHB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 655.39 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: Trifunctional enzyme subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P55084
Assay: Binding affinity to human HADHB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 655.39 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: Histone acetyltransferase type B catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O14929
Assay: Binding affinity to human HAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 182.77 nM (pChEMBL 6.739999771118164)
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: Histone acetyltransferase type B catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O14929
Assay: Binding affinity to human HAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 182.77 nM (pChEMBL 6.739999771118164)
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: Holocytochrome c-type synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P53701
Assay: Binding affinity to human HCCS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 88.78 nM (pChEMBL 7.050000190734863)
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: Holocytochrome c-type synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P53701
Assay: Binding affinity to human HCCS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 88.78 nM (pChEMBL 7.050000190734863)
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: Host cell factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51610
Assay: Binding affinity to human HCFC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1414.29 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: Host cell factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51610
Assay: Binding affinity to human HCFC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1414.29 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: Tyrosine-protein kinase HCK (SINGLE PROTEIN), Homo sapiens
UniProt: P08631
Assay: Binding affinity to human HCK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11481.54 nM (pChEMBL 4.940000057220459)
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: Tyrosine-protein kinase HCK (SINGLE PROTEIN), Homo sapiens
UniProt: P08631
Assay: Binding affinity to human HCK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11377.83 nM (pChEMBL 4.940000057220459)
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: Tyrosine-protein kinase HCK (SINGLE PROTEIN), Homo sapiens
UniProt: P08631
Assay: Binding affinity to human HCK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21950.16 nM (pChEMBL 4.659999847412109)
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: Hematopoietic lineage cell-specific protein (SINGLE PROTEIN), Homo sapiens
UniProt: P14317
Assay: Binding affinity to human HCLS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 29.91 nM (pChEMBL 7.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Hematopoietic lineage cell-specific protein (SINGLE PROTEIN), Homo sapiens
UniProt: P14317
Assay: Binding affinity to human HCLS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 29.91 nM (pChEMBL 7.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Binding affinity to human HDAC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5813.62 nM (pChEMBL 5.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone deacetylase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13547
Assay: Binding affinity to human HDAC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5813.62 nM (pChEMBL 5.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Binding affinity to human HDAC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18912.25 nM (pChEMBL 4.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone deacetylase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92769
Assay: Binding affinity to human HDAC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18912.25 nM (pChEMBL 4.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Hepatoma-derived growth factor (SINGLE PROTEIN), Homo sapiens
UniProt: P51858
Assay: Binding affinity to human HDGF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.901 nM (pChEMBL 8.3100004196167)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Hepatoma-derived growth factor (SINGLE PROTEIN), Homo sapiens
UniProt: P51858
Assay: Binding affinity to human HDGF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.901 nM (pChEMBL 8.3100004196167)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Adenosine 5'-monophosphoramidase HINT1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49773
Assay: Binding affinity to human HINT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.514 nM (pChEMBL 8.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Adenosine 5'-monophosphoramidase HINT1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49773
Assay: Binding affinity to human HINT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.514 nM (pChEMBL 8.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone H1.5 (SINGLE PROTEIN), Homo sapiens
UniProt: P16401
Assay: Binding affinity to human HIST1H1B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3997.57 nM (pChEMBL 5.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone H1.5 (SINGLE PROTEIN), Homo sapiens
UniProt: P16401
Assay: Binding affinity to human HIST1H1B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3997.57 nM (pChEMBL 5.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone H1.2 (SINGLE PROTEIN), Homo sapiens
UniProt: P16403
Assay: Binding affinity to human HIST1H1C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 208.79 nM (pChEMBL 6.679999828338623)
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: Histone H1.2 (SINGLE PROTEIN), Homo sapiens
UniProt: P16403
Assay: Binding affinity to human HIST1H1C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 208.79 nM (pChEMBL 6.679999828338623)
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: Histone H1.4 (SINGLE PROTEIN), Homo sapiens
UniProt: P10412
Assay: Binding affinity to human HIST1H1E incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 62934.67 nM (pChEMBL 4.199999809265137)
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: Histone H1.4 (SINGLE PROTEIN), Homo sapiens
UniProt: P10412
Assay: Binding affinity to human HIST1H1E incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 62934.67 nM (pChEMBL 4.199999809265137)
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: Histone H4 (SINGLE PROTEIN), Homo sapiens
UniProt: P62805
Assay: Binding affinity to human HIST1H4A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4092.74 nM (pChEMBL 5.389999866485596)
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: Histone H4 (SINGLE PROTEIN), Homo sapiens
UniProt: P62805
Assay: Binding affinity to human HIST1H4A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4092.74 nM (pChEMBL 5.389999866485596)
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: Hexokinase-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P19367
Assay: Binding affinity to human HK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.549 nM (pChEMBL 8.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Hexokinase-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P19367
Assay: Binding affinity to human HK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.549 nM (pChEMBL 8.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: HLA class I histocompatibility antigen, A alpha chain (SINGLE PROTEIN), Homo sapiens
UniProt: P04439
Assay: Binding affinity to human HLA-A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18968513.96 nM (pChEMBL 1.7200000286102295)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: HLA class I histocompatibility antigen, C alpha chain (SINGLE PROTEIN), Homo sapiens
UniProt: P10321
Assay: Binding affinity to human HLA-C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3749.4 nM (pChEMBL 5.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: HLA class I histocompatibility antigen, C alpha chain (SINGLE PROTEIN), Homo sapiens
UniProt: P10321
Assay: Binding affinity to human HLA-C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3749.4 nM (pChEMBL 5.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Minor histocompatibility antigen H13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TCT9
Assay: Binding affinity to human HM13 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9929.9 nM (pChEMBL 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: Minor histocompatibility antigen H13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TCT9
Assay: Binding affinity to human HM13 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9929.9 nM (pChEMBL 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: High mobility group protein B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P09429
Assay: Binding affinity to human HMGB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3008.4 nM (pChEMBL 5.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: High mobility group protein B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P09429
Assay: Binding affinity to human HMGB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3008.4 nM (pChEMBL 5.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: High mobility group protein B2 (SINGLE PROTEIN), Homo sapiens
UniProt: P26583
Assay: Binding affinity to human HMGB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11255.83 nM (pChEMBL 4.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: High mobility group protein B2 (SINGLE PROTEIN), Homo sapiens
UniProt: P26583
Assay: Binding affinity to human HMGB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11255.83 nM (pChEMBL 4.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heme oxygenase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30519
Assay: Binding affinity to human HMOX2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4084.66 nM (pChEMBL 5.389999866485596)
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: Heme oxygenase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30519
Assay: Binding affinity to human HMOX2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4084.66 nM (pChEMBL 5.389999866485596)
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: Heterogeneous nuclear ribonucleoprotein A0 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13151
Assay: Binding affinity to human HNRNPA0 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4385.89 nM (pChEMBL 5.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein A0 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13151
Assay: Binding affinity to human HNRNPA0 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4385.89 nM (pChEMBL 5.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoproteins A2/B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P22626
Assay: Binding affinity to human HNRNPA2B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 82.25 nM (pChEMBL 7.079999923706055)
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: Heterogeneous nuclear ribonucleoproteins A2/B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P22626
Assay: Binding affinity to human HNRNPA2B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 82.25 nM (pChEMBL 7.079999923706055)
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: Heterogeneous nuclear ribonucleoprotein A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51991
Assay: Binding affinity to human HNRNPA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 174.22 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: Heterogeneous nuclear ribonucleoprotein A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51991
Assay: Binding affinity to human HNRNPA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 174.22 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: Heterogeneous nuclear ribonucleoprotein A/B (SINGLE PROTEIN), Homo sapiens
UniProt: Q99729
Assay: Binding affinity to human HNRNPAB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21.46 nM (pChEMBL 7.670000076293945)
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: Heterogeneous nuclear ribonucleoprotein A/B (SINGLE PROTEIN), Homo sapiens
UniProt: Q99729
Assay: Binding affinity to human HNRNPAB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21.46 nM (pChEMBL 7.670000076293945)
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: Heterogeneous nuclear ribonucleoproteins C1/C2 (SINGLE PROTEIN), Homo sapiens
UniProt: P07910
Assay: Binding affinity to human HNRNPC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 127.11 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoproteins C1/C2 (SINGLE PROTEIN), Homo sapiens
UniProt: P07910
Assay: Binding affinity to human HNRNPC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 127.11 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein D0 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14103
Assay: Binding affinity to human HNRNPD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1149.32 nM (pChEMBL 5.940000057220459)
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: Heterogeneous nuclear ribonucleoprotein D0 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14103
Assay: Binding affinity to human HNRNPD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1149.32 nM (pChEMBL 5.940000057220459)
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: Heterogeneous nuclear ribonucleoprotein F (SINGLE PROTEIN), Homo sapiens
UniProt: P52597
Assay: Binding affinity to human HNRNPF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 22635.96 nM (pChEMBL 4.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein F (SINGLE PROTEIN), Homo sapiens
UniProt: P52597
Assay: Binding affinity to human HNRNPF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 22635.96 nM (pChEMBL 4.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein H (SINGLE PROTEIN), Homo sapiens
UniProt: P31943
Assay: Binding affinity to human HNRNPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5859.22 nM (pChEMBL 5.230000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein H (SINGLE PROTEIN), Homo sapiens
UniProt: P31943
Assay: Binding affinity to human HNRNPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5859.22 nM (pChEMBL 5.230000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein H3 (SINGLE PROTEIN), Homo sapiens
UniProt: P31942
Assay: Binding affinity to human HNRNPH3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.308 nM (pChEMBL 8.369999885559082)
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: Heterogeneous nuclear ribonucleoprotein H3 (SINGLE PROTEIN), Homo sapiens
UniProt: P31942
Assay: Binding affinity to human HNRNPH3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.127 nM (pChEMBL 8.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein K (SINGLE PROTEIN), Homo sapiens
UniProt: P61978
Assay: Binding affinity to human HNRNPK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56.37 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein K (SINGLE PROTEIN), Homo sapiens
UniProt: P61978
Assay: Binding affinity to human HNRNPK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 56.37 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein L (SINGLE PROTEIN), Homo sapiens
UniProt: P14866
Assay: Binding affinity to human HNRNPL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16422.49 nM (pChEMBL 4.789999961853027)
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: Heterogeneous nuclear ribonucleoprotein L (SINGLE PROTEIN), Homo sapiens
UniProt: P14866
Assay: Binding affinity to human HNRNPL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16422.49 nM (pChEMBL 4.789999961853027)
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: Heterogeneous nuclear ribonucleoprotein M (SINGLE PROTEIN), Homo sapiens
UniProt: P52272
Assay: Binding affinity to human HNRNPM incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8568.31 nM (pChEMBL 5.070000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein M (SINGLE PROTEIN), Homo sapiens
UniProt: P52272
Assay: Binding affinity to human HNRNPM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8568.31 nM (pChEMBL 5.070000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein R (SINGLE PROTEIN), Homo sapiens
UniProt: O43390
Assay: Binding affinity to human HNRNPR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 258.26 nM (pChEMBL 6.590000152587891)
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: Heterogeneous nuclear ribonucleoprotein R (SINGLE PROTEIN), Homo sapiens
UniProt: O43390
Assay: Binding affinity to human HNRNPR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 258.26 nM (pChEMBL 6.590000152587891)
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: Heterogeneous nuclear ribonucleoprotein U (SINGLE PROTEIN), Homo sapiens
UniProt: Q00839
Assay: Binding affinity to human HNRNPU incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19.46 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: Heterogeneous nuclear ribonucleoprotein U (SINGLE PROTEIN), Homo sapiens
UniProt: Q00839
Assay: Binding affinity to human HNRNPU incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 19.46 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: Heterogeneous nuclear ribonucleoprotein U-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUJ2
Assay: Binding affinity to human HNRNPUL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 921.9 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: Heterogeneous nuclear ribonucleoprotein U-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUJ2
Assay: Binding affinity to human HNRNPUL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 921.9 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: Heterogeneous nuclear ribonucleoprotein U-like protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q1KMD3
Assay: Binding affinity to human HNRNPUL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 31986105.98 nM (pChEMBL 1.5)
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: 3-hydroxyacyl-CoA dehydrogenase type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99714
Assay: Binding affinity to human HSD17B10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26508.76 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: 3-hydroxyacyl-CoA dehydrogenase type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99714
Assay: Binding affinity to human HSD17B10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26508.76 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: Very-long-chain 3-oxoacyl-CoA reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q53GQ0
Assay: Binding affinity to human HSD17B12 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 53.27 nM (pChEMBL 7.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Very-long-chain 3-oxoacyl-CoA reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q53GQ0
Assay: Binding affinity to human HSD17B12 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53.27 nM (pChEMBL 7.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Peroxisomal multifunctional enzyme type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51659
Assay: Binding affinity to human HSD17B4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1363.19 nM (pChEMBL 5.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Peroxisomal multifunctional enzyme type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51659
Assay: Binding affinity to human HSD17B4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1363.19 nM (pChEMBL 5.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: Binding affinity to human HSP90AA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 173.29 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: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: Binding affinity to human HSP90AA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 173.29 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: Heat shock protein HSP 90-beta (SINGLE PROTEIN), Homo sapiens
UniProt: P08238
Assay: Binding affinity to human HSP90AB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.546 nM (pChEMBL 9.260000228881836)
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: Heat shock protein HSP 90-beta (SINGLE PROTEIN), Homo sapiens
UniProt: P08238
Assay: Binding affinity to human HSP90AB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.546 nM (pChEMBL 9.260000228881836)
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: Putative heat shock protein HSP 90-beta 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q58FF8
Assay: Binding affinity to human HSP90AB2P incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11.17 nM (pChEMBL 7.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Putative heat shock protein HSP 90-beta 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q58FF8
Assay: Binding affinity to human HSP90AB2P incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11.17 nM (pChEMBL 7.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Endoplasmin (SINGLE PROTEIN), Homo sapiens
UniProt: P14625
Assay: Binding affinity to human HSP90B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3472.42 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: Endoplasmin (SINGLE PROTEIN), Homo sapiens
UniProt: P14625
Assay: Binding affinity to human HSP90B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3472.42 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: Heat shock 70 kDa protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P34932
Assay: Binding affinity to human HSPA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3182.02 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: Heat shock 70 kDa protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P34932
Assay: Binding affinity to human HSPA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3182.02 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: Endoplasmic reticulum chaperone BiP (SINGLE PROTEIN), Homo sapiens
UniProt: P11021
Assay: Binding affinity to human HSPA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1853.49 nM (pChEMBL 5.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Endoplasmic reticulum chaperone BiP (SINGLE PROTEIN), Homo sapiens
UniProt: P11021
Assay: Binding affinity to human HSPA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1948.31 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: Heat shock cognate 71 kDa protein (SINGLE PROTEIN), Homo sapiens
UniProt: P11142
Assay: Binding affinity to human HSPA8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 111.14 nM (pChEMBL 6.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heat shock cognate 71 kDa protein (SINGLE PROTEIN), Homo sapiens
UniProt: P11142
Assay: Binding affinity to human HSPA8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 121.14 nM (pChEMBL 6.920000076293945)
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: Stress-70 protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P38646
Assay: Binding affinity to human HSPA9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 31.05 nM (pChEMBL 7.510000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32