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: Reticulon-3 (SINGLE PROTEIN), Homo sapiens
UniProt: O95197
Assay: Binding affinity to human RTN3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 34103.08 nM (pChEMBL 4.46999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Reticulon-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQC3
Assay: Binding affinity to human RTN4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.308 nM (pChEMBL 8.279999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Reticulon-4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQC3
Assay: Binding affinity to human RTN4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.308 nM (pChEMBL 8.279999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: RuvB-like 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y265
Assay: Binding affinity to human RUVBL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4251.12 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: RuvB-like 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y265
Assay: Binding affinity to human RUVBL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4251.12 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: RuvB-like 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y230
Assay: Binding affinity to human RUVBL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5000418.75 nM (pChEMBL 2.299999952316284)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 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 S100-A11 (SINGLE PROTEIN), Homo sapiens
UniProt: P31949
Assay: Binding affinity to human S100A11 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3060.21 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: Protein S100-A11 (SINGLE PROTEIN), Homo sapiens
UniProt: P31949
Assay: Binding affinity to human S100A11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3060.21 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: Protein S100-A6 (SINGLE PROTEIN), Homo sapiens
UniProt: P06703
Assay: Binding affinity to human S100A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 118.11 nM (pChEMBL 6.929999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein S100-A6 (SINGLE PROTEIN), Homo sapiens
UniProt: P06703
Assay: Binding affinity to human S100A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 118.11 nM (pChEMBL 6.929999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y3Z3
Assay: Binding affinity to human SAMHD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.627 nM (pChEMBL 8.4399995803833)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y3Z3
Assay: Binding affinity to human SAMHD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.627 nM (pChEMBL 8.4399995803833)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Sorting and assembly machinery component 50 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y512
Assay: Binding affinity to human SAMM50 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 783.83 nM (pChEMBL 6.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Sorting and assembly machinery component 50 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y512
Assay: Binding affinity to human SAMM50 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 783.83 nM (pChEMBL 6.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein salvador homolog 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4B6
Assay: Binding affinity to human SAV1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11643.28 nM (pChEMBL 4.929999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein salvador homolog 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4B6
Assay: Binding affinity to human SAV1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13432.48 nM (pChEMBL 4.869999885559082)
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: Secretory carrier-associated membrane protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15127
Assay: Binding affinity to human SCAMP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6766.33 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: Secretory carrier-associated membrane protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15127
Assay: Binding affinity to human SCAMP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6766.33 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: Secretory carrier-associated membrane protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O14828
Assay: Binding affinity to human SCAMP3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.915 nM (pChEMBL 8.539999961853027)
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: Secretory carrier-associated membrane protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O14828
Assay: Binding affinity to human SCAMP3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.915 nM (pChEMBL 8.539999961853027)
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: Stearoyl-CoA desaturase (SINGLE PROTEIN), Homo sapiens
UniProt: O00767
Assay: Binding affinity to human SCD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.646 nM (pChEMBL 8.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Stearoyl-CoA desaturase (SINGLE PROTEIN), Homo sapiens
UniProt: O00767
Assay: Binding affinity to human SCD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.646 nM (pChEMBL 8.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Sec1 family domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WVM8
Assay: Binding affinity to human SCFD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 171.13 nM (pChEMBL 6.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Sec1 family domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WVM8
Assay: Binding affinity to human SCFD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 171.13 nM (pChEMBL 6.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein SDA1 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVU7
Assay: Binding affinity to human SDAD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 58.34 nM (pChEMBL 7.230000019073486)
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: Protein SDA1 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVU7
Assay: Binding affinity to human SDAD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 65.03 nM (pChEMBL 7.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Syndecan-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P18827
Assay: Binding affinity to human SDC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1503.08 nM (pChEMBL 5.820000171661377)
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: Syndecan-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P18827
Assay: Binding affinity to human SDC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1774.14 nM (pChEMBL 5.75)
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: Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P31040
Assay: Binding affinity to human SDHA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 119.69 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: Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P31040
Assay: Binding affinity to human SDHA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 119.69 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: Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P21912
Assay: Binding affinity to human SDHB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 93133.15 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: Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P21912
Assay: Binding affinity to human SDHB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 93133.15 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: Signal peptidase complex catalytic subunit SEC11A (SINGLE PROTEIN), Homo sapiens
UniProt: P67812
Assay: Binding affinity to human SEC11A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 430213.16 nM (pChEMBL 3.369999885559082)
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: Protein transport protein Sec16A (SINGLE PROTEIN), Homo sapiens
UniProt: O15027
Assay: Binding affinity to human SEC16A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6.746 nM (pChEMBL 8.170000076293945)
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: Protein transport protein Sec16A (SINGLE PROTEIN), Homo sapiens
UniProt: O15027
Assay: Binding affinity to human SEC16A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.746 nM (pChEMBL 8.170000076293945)
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: Vesicle-trafficking protein SEC22b (SINGLE PROTEIN), Homo sapiens
UniProt: O75396
Assay: Binding affinity to human SEC22B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 103387.49 nM (pChEMBL 3.990000009536743)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 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 transport protein Sec23A (SINGLE PROTEIN), Homo sapiens
UniProt: Q15436
Assay: Binding affinity to human SEC23A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4179.56 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: Protein transport protein Sec23A (SINGLE PROTEIN), Homo sapiens
UniProt: Q15436
Assay: Binding affinity to human SEC23A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4179.56 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: Protein transport protein Sec23B (SINGLE PROTEIN), Homo sapiens
UniProt: Q15437
Assay: Binding affinity to human SEC23B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9392.02 nM (pChEMBL 5.03000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein transport protein Sec23B (SINGLE PROTEIN), Homo sapiens
UniProt: Q15437
Assay: Binding affinity to human SEC23B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9392.02 nM (pChEMBL 5.03000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein transport protein Sec24C (SINGLE PROTEIN), Homo sapiens
UniProt: P53992
Assay: Binding affinity to human SEC24C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11.58 nM (pChEMBL 7.940000057220459)
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: Protein transport protein Sec24C (SINGLE PROTEIN), Homo sapiens
UniProt: P53992
Assay: Binding affinity to human SEC24C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11.58 nM (pChEMBL 7.940000057220459)
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: Protein transport protein Sec61 subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P60468
Assay: Binding affinity to human SEC61B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11503.52 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: Protein transport protein Sec61 subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P60468
Assay: Binding affinity to human SEC61B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11503.52 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: Translocation protein SEC63 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UGP8
Assay: Binding affinity to human SEC63 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 95726172.42 nM (pChEMBL 1.0199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Septin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16181
Assay: Binding affinity to human Sep7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3336.3 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: Septin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16181
Assay: Binding affinity to human Sep7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3336.3 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: Septin-9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHD8
Assay: Binding affinity to human Sep9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8647.68 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: Septin-9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHD8
Assay: Binding affinity to human Sep9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8647.68 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: SERPINE1 mRNA-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NC51
Assay: Binding affinity to human SERBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27.43 nM (pChEMBL 7.559999942779541)
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: SERPINE1 mRNA-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NC51
Assay: Binding affinity to human SERBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27.43 nM (pChEMBL 7.559999942779541)
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: Splicing factor 3B subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75533
Assay: Binding affinity to human SF3B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2847.44 nM (pChEMBL 5.550000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Splicing factor 3B subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75533
Assay: Binding affinity to human SF3B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2847.44 nM (pChEMBL 5.550000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Splicing factor 3B subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13435
Assay: Binding affinity to human SF3B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6.909 nM (pChEMBL 8.15999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Splicing factor 3B subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13435
Assay: Binding affinity to human SF3B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.909 nM (pChEMBL 8.15999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Splicing factor 3B subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15393
Assay: Binding affinity to human SF3B3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13862.37 nM (pChEMBL 4.860000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Splicing factor 3B subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15393
Assay: Binding affinity to human SF3B3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13862.37 nM (pChEMBL 4.860000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Splicing factor, proline- and glutamine-rich (SINGLE PROTEIN), Homo sapiens
UniProt: P23246
Assay: Binding affinity to human SFPQ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6392.55 nM (pChEMBL 5.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Splicing factor, proline- and glutamine-rich (SINGLE PROTEIN), Homo sapiens
UniProt: P23246
Assay: Binding affinity to human SFPQ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6392.55 nM (pChEMBL 5.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Sideroflexin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H9B4
Assay: Binding affinity to human SFXN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3466.2 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: Sideroflexin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H9B4
Assay: Binding affinity to human SFXN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3466.2 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: Serine hydroxymethyltransferase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P34897
Assay: Binding affinity to human SHMT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 58275.42 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: Serine hydroxymethyltransferase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P34897
Assay: Binding affinity to human SHMT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 58275.42 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: Serine/threonine-protein kinase SIK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0K1
Assay: Binding affinity to human SIK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1107.57 nM (pChEMBL 5.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase SIK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H0K1
Assay: Binding affinity to human SIK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2137.11 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: Serine/threonine-protein kinase SIK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2K2
Assay: Binding affinity to human SIK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 91290.41 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: Serine/threonine-protein kinase SIK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2K2
Assay: Binding affinity to human SIK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 111519.14 nM (pChEMBL 3.950000047683716)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Exosome RNA helicase MTR4 (SINGLE PROTEIN), Homo sapiens
UniProt: P42285
Assay: Binding affinity to human SKIV2L2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 385.27 nM (pChEMBL 6.409999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Exosome RNA helicase MTR4 (SINGLE PROTEIN), Homo sapiens
UniProt: P42285
Assay: Binding affinity to human SKIV2L2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 385.27 nM (pChEMBL 6.409999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: S-phase kinase-associated protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13309
Assay: Binding affinity to human SKP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4380.86 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: S-phase kinase-associated protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13309
Assay: Binding affinity to human SKP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4824.16 nM (pChEMBL 5.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53985
Assay: Binding affinity to human SLC16A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 48.21 nM (pChEMBL 7.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Monocarboxylate transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53985
Assay: Binding affinity to human SLC16A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 48.21 nM (pChEMBL 7.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Monocarboxylate transporter 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O15427
Assay: Binding affinity to human SLC16A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4220.73 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: Monocarboxylate transporter 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O15427
Assay: Binding affinity to human SLC16A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4220.73 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: Neutral amino acid transporter B(0) (SINGLE PROTEIN), Homo sapiens
UniProt: Q15758
Assay: Binding affinity to human SLC1A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26.26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Neutral amino acid transporter B(0) (SINGLE PROTEIN), Homo sapiens
UniProt: Q15758
Assay: Binding affinity to human SLC1A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26.26 nM (pChEMBL 7.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tricarboxylate transport protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P53007
Assay: Binding affinity to human SLC25A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4378.95 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: Tricarboxylate transport protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P53007
Assay: Binding affinity to human SLC25A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4378.95 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: Mitochondrial 2-oxoglutarate/malate carrier protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q02978
Assay: Binding affinity to human SLC25A11 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 53.14 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: Mitochondrial 2-oxoglutarate/malate carrier protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q02978
Assay: Binding affinity to human SLC25A11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53.14 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: Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UJS0
Assay: Binding affinity to human SLC25A13 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1177.87 nM (pChEMBL 5.929999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Electrogenic aspartate/glutamate antiporter SLC25A13, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UJS0
Assay: Binding affinity to human SLC25A13 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1177.87 nM (pChEMBL 5.929999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Solute carrier family 25 member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00325
Assay: Binding affinity to human SLC25A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38436.58 nM (pChEMBL 4.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Solute carrier family 25 member 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00325
Assay: Binding affinity to human SLC25A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 38436.58 nM (pChEMBL 4.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ADP/ATP translocase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P12235
Assay: Binding affinity to human SLC25A4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1635.36 nM (pChEMBL 5.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ADP/ATP translocase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P12235
Assay: Binding affinity to human SLC25A4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1738.95 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: ADP/ATP translocase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P05141
Assay: Binding affinity to human SLC25A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2543.07 nM (pChEMBL 5.590000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ADP/ATP translocase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P05141
Assay: Binding affinity to human SLC25A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2543.07 nM (pChEMBL 5.590000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ADP/ATP translocase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P12236
Assay: Binding affinity to human SLC25A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2187.76 nM (pChEMBL 5.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ADP/ATP translocase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P12236
Assay: Binding affinity to human SLC25A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2192.86 nM (pChEMBL 5.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ADP/ATP translocase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P12236
Assay: Binding affinity to human SLC25A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2192.86 nM (pChEMBL 5.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Solute carrier family 2, facilitated glucose transporter member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11166
Assay: Binding affinity to human SLC2A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1853.55 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: Solute carrier family 2, facilitated glucose transporter member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P11166
Assay: Binding affinity to human SLC2A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1853.55 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: Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TB61
Assay: Binding affinity to human SLC35B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21.77 nM (pChEMBL 7.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Adenosine 3'-phospho 5'-phosphosulfate transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TB61
Assay: Binding affinity to human SLC35B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21.77 nM (pChEMBL 7.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Solute carrier family 35 member E1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96K37
Assay: Binding affinity to human SLC35E1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.39 nM (pChEMBL 8.359999656677246)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Solute carrier family 35 member E1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96K37
Assay: Binding affinity to human SLC35E1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.39 nM (pChEMBL 8.359999656677246)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Metal cation symporter ZIP14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15043
Assay: Binding affinity to human SLC39A14 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.372 nM (pChEMBL 8.470000267028809)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Metal cation symporter ZIP14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15043
Assay: Binding affinity to human SLC39A14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.372 nM (pChEMBL 8.470000267028809)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Amino acid transporter heavy chain SLC3A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P08195
Assay: Binding affinity to human SLC3A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5332.82 nM (pChEMBL 5.269999980926514)
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: Amino acid transporter heavy chain SLC3A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P08195
Assay: Binding affinity to human SLC3A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5569.35 nM (pChEMBL 5.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Equilibrative nucleobase transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NBI5
Assay: Binding affinity to human SLC43A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12938.61 nM (pChEMBL 4.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Equilibrative nucleobase transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NBI5
Assay: Binding affinity to human SLC43A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12938.61 nM (pChEMBL 4.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: High affinity cationic amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30825
Assay: Binding affinity to human SLC7A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4059.53 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: High affinity cationic amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30825
Assay: Binding affinity to human SLC7A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4059.53 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: Large neutral amino acids transporter small subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q01650
Assay: Binding affinity to human SLC7A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2219.04 nM (pChEMBL 5.650000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Large neutral amino acids transporter small subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q01650
Assay: Binding affinity to human SLC7A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2219.04 nM (pChEMBL 5.650000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: Binding affinity to human SLK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19.48 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: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: Binding affinity to human SLK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21.87 nM (pChEMBL 7.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: SWI/SNF complex subunit SMARCC2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TAQ2
Assay: Binding affinity to human SMARCC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21799.76 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: SWI/SNF complex subunit SMARCC2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TAQ2
Assay: Binding affinity to human SMARCC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21799.76 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: Structural maintenance of chromosomes protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95347
Assay: Binding affinity to human SMC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5620.1 nM (pChEMBL 5.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32