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: Actin-related protein 2/3 complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O15511
Assay: Binding affinity to human ARPC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3487.24 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: Argininosuccinate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P00966
Assay: Binding affinity to human ASS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5021.87 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: Argininosuccinate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P00966
Assay: Binding affinity to human ASS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5021.87 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: ATPase family AAA domain-containing protein 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVI7
Assay: Binding affinity to human ATAD3A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8.901 nM (pChEMBL 8.050000190734863)
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: ATPase family AAA domain-containing protein 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVI7
Assay: Binding affinity to human ATAD3A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8.901 nM (pChEMBL 8.050000190734863)
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: ATPase family AAA domain-containing protein 3B (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T9A4
Assay: Binding affinity to human ATAD3B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 79.89 nM (pChEMBL 7.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATPase family AAA domain-containing protein 3B (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T9A4
Assay: Binding affinity to human ATAD3B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 80.94 nM (pChEMBL 7.090000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Bifunctional purine biosynthesis protein ATIC (SINGLE PROTEIN), Homo sapiens
UniProt: P31939
Assay: Binding affinity to human ATIC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3388.62 nM (pChEMBL 5.46999979019165)
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: Bifunctional purine biosynthesis protein ATIC (SINGLE PROTEIN), Homo sapiens
UniProt: P31939
Assay: Binding affinity to human ATIC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3388.62 nM (pChEMBL 5.46999979019165)
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: Atlastin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DD88
Assay: Binding affinity to human ATL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1145.18 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: Atlastin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6DD88
Assay: Binding affinity to human ATL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1145.18 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: Serine-protein kinase ATM (SINGLE PROTEIN), Homo sapiens
UniProt: Q13315
Assay: Binding affinity to human ATM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8679872.47 nM (pChEMBL 2.059999942779541)
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: Sodium/potassium-transporting ATPase subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P05023
Assay: Binding affinity to human ATP1A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6.82 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: Sodium/potassium-transporting ATPase subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P05023
Assay: Binding affinity to human ATP1A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.82 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: Sodium/potassium-transporting ATPase subunit beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P05026
Assay: Binding affinity to human ATP1B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 53.61 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: Sodium/potassium-transporting ATPase subunit beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P05026
Assay: Binding affinity to human ATP1B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53.61 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: Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P16615
Assay: Binding affinity to human ATP2A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9666.83 nM (pChEMBL 5.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P16615
Assay: Binding affinity to human ATP2A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9666.83 nM (pChEMBL 5.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(1) complex subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P25705
Assay: Binding affinity to human ATP5A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1478.97 nM (pChEMBL 5.829999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(1) complex subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P25705
Assay: Binding affinity to human ATP5A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1478.97 nM (pChEMBL 5.829999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(1) complex subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P06576
Assay: Binding affinity to human ATP5B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 882.42 nM (pChEMBL 6.050000190734863)
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: ATP synthase F(1) complex subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P06576
Assay: Binding affinity to human ATP5B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 882.42 nM (pChEMBL 6.050000190734863)
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: ATP synthase F(1) complex subunit gamma, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P36542
Assay: Binding affinity to human ATP5C1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3133.29 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: ATP synthase F(1) complex subunit gamma, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P36542
Assay: Binding affinity to human ATP5C1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3133.29 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: ATP synthase F(1) complex subunit delta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P30049
Assay: Binding affinity to human ATP5D incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 145686.02 nM (pChEMBL 3.8399999141693115)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase peripheral stalk subunit b, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P24539
Assay: Binding affinity to human ATP5F1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11515.12 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: ATP synthase peripheral stalk subunit b, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P24539
Assay: Binding affinity to human ATP5F1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11515.12 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: ATP synthase peripheral stalk subunit d, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75947
Assay: Binding affinity to human ATP5H incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 72.67 nM (pChEMBL 7.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase peripheral stalk subunit d, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75947
Assay: Binding affinity to human ATP5H incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 72.67 nM (pChEMBL 7.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(0) complex subunit e, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P56385
Assay: Binding affinity to human ATP5I incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19985.09 nM (pChEMBL 4.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(0) complex subunit e, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P56385
Assay: Binding affinity to human ATP5I incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 19985.09 nM (pChEMBL 4.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(0) complex subunit f, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P56134
Assay: Binding affinity to human ATP5J2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20.65 nM (pChEMBL 7.679999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(0) complex subunit f, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P56134
Assay: Binding affinity to human ATP5J2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 20.65 nM (pChEMBL 7.679999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(0) complex subunit g, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75964
Assay: Binding affinity to human ATP5L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2635.47 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(0) complex subunit g, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75964
Assay: Binding affinity to human ATP5L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2635.47 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase peripheral stalk subunit OSCP, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P48047
Assay: Binding affinity to human ATP5O incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 29384.9 nM (pChEMBL 4.53000020980835)
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: ATP synthase peripheral stalk subunit OSCP, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P48047
Assay: Binding affinity to human ATP5O incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 29384.9 nM (pChEMBL 4.53000020980835)
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: V-type proton ATPase subunit G 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75348
Assay: Binding affinity to human ATP6V1G1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 500994.27 nM (pChEMBL 3.299999952316284)
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: V-type proton ATPase subunit H (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UI12
Assay: Binding affinity to human ATP6V1H incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.752 nM (pChEMBL 8.760000228881836)
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: V-type proton ATPase subunit H (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UI12
Assay: Binding affinity to human ATP6V1H incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.752 nM (pChEMBL 8.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase ATR (SINGLE PROTEIN), Homo sapiens
UniProt: Q13535
Assay: Binding affinity to human ATR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4472.45 nM (pChEMBL 5.349999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 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 ATR (SINGLE PROTEIN), Homo sapiens
UniProt: Q13535
Assay: Binding affinity to human ATR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4472.45 nM (pChEMBL 5.349999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ataxin-10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBB4
Assay: Binding affinity to human ATXN10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 103.22 nM (pChEMBL 6.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ataxin-10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBB4
Assay: Binding affinity to human ATXN10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 103.22 nM (pChEMBL 6.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ataxin-2-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WWM7
Assay: Binding affinity to human ATXN2L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3425.32 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: Ataxin-2-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WWM7
Assay: Binding affinity to human ATXN2L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3425.32 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: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Binding affinity to human AURKA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2224.84 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: Aurora kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: O14965
Assay: Binding affinity to human AURKA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6290.1 nM (pChEMBL 5.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Aurora kinase B (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GD4
Assay: Binding affinity to human AURKB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6763.34 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: Aurora kinase B (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GD4
Assay: Binding affinity to human AURKB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11555.9 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: 5-azacytidine-induced protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H6S1
Assay: Binding affinity to human AZI2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26.91 nM (pChEMBL 7.570000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: 5-azacytidine-induced protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H6S1
Assay: Binding affinity to human AZI2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 38.34 nM (pChEMBL 7.420000076293945)
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: Bromodomain adjacent to zinc finger domain protein 1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NRL2
Assay: Binding affinity to human BAZ1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 531.76 nM (pChEMBL 6.269999980926514)
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: Bromodomain adjacent to zinc finger domain protein 1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NRL2
Assay: Binding affinity to human BAZ1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 531.76 nM (pChEMBL 6.269999980926514)
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: B-cell receptor-associated protein 31 (SINGLE PROTEIN), Homo sapiens
UniProt: P51572
Assay: Binding affinity to human BCAP31 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 69.08 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: B-cell receptor-associated protein 31 (SINGLE PROTEIN), Homo sapiens
UniProt: P51572
Assay: Binding affinity to human BCAP31 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 69.08 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Pre-mRNA-splicing factor SPF27 (SINGLE PROTEIN), Homo sapiens
UniProt: O75934
Assay: Binding affinity to human BCAS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.891 nM (pChEMBL 8.720000267028809)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Pre-mRNA-splicing factor SPF27 (SINGLE PROTEIN), Homo sapiens
UniProt: O75934
Assay: Binding affinity to human BCAS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.891 nM (pChEMBL 8.720000267028809)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Breakpoint cluster region protein (SINGLE PROTEIN), Homo sapiens
UniProt: P11274
Assay: Binding affinity to human BCR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 233.22 nM (pChEMBL 6.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Breakpoint cluster region protein (SINGLE PROTEIN), Homo sapiens
UniProt: P11274
Assay: Binding affinity to human BCR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 488.06 nM (pChEMBL 6.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: BMP-2-inducible protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NSY1
Assay: Binding affinity to human BMP2K incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.187 nM (pChEMBL 8.930000305175781)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: BMP-2-inducible protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NSY1
Assay: Binding affinity to human BMP2K incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.796 nM (pChEMBL 8.75)
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: Bone morphogenetic protein receptor type-1A (SINGLE PROTEIN), Homo sapiens
UniProt: P36894
Assay: Binding affinity to human BMPR1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 522.9 nM (pChEMBL 6.28000020980835)
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: Bone morphogenetic protein receptor type-1A (SINGLE PROTEIN), Homo sapiens
UniProt: P36894
Assay: Binding affinity to human BMPR1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 990.24 nM (pChEMBL 6)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Bone morphogenetic protein receptor type-1B (SINGLE PROTEIN), Homo sapiens
UniProt: O00238
Assay: Binding affinity to human BMPR1B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6291522.34 nM (pChEMBL 2.200000047683716)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Bone morphogenetic protein receptor type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13873
Assay: Binding affinity to human BMPR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2543.66 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: Bone morphogenetic protein receptor type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13873
Assay: Binding affinity to human BMPR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3021.2 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: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Binding affinity to human BRAF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3630.78 nM (pChEMBL 5.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Binding affinity to human BRAF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3640.57 nM (pChEMBL 5.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase B-raf (SINGLE PROTEIN), Homo sapiens
UniProt: P15056
Assay: Binding affinity to human BRAF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3640.57 nM (pChEMBL 5.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Bone marrow stromal antigen 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q10589
Assay: Binding affinity to human BST2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 215.93 nM (pChEMBL 6.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Bone marrow stromal antigen 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q10589
Assay: Binding affinity to human BST2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 215.93 nM (pChEMBL 6.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Mitotic checkpoint protein BUB3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43684
Assay: Binding affinity to human BUB3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.278 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: Mitotic checkpoint protein BUB3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43684
Assay: Binding affinity to human BUB3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.278 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: eIF5-mimic protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L1Q6
Assay: Binding affinity to human BZW1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 570.8 nM (pChEMBL 6.239999771118164)
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: eIF5-mimic protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L1Q6
Assay: Binding affinity to human BZW1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 570.8 nM (pChEMBL 6.239999771118164)
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: eIF5-mimic protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6E2
Assay: Binding affinity to human BZW2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16.66 nM (pChEMBL 7.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: eIF5-mimic protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6E2
Assay: Binding affinity to human BZW2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16.66 nM (pChEMBL 7.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cilia- and flagella-associated protein 410 (SINGLE PROTEIN), Homo sapiens
UniProt: O43822
Assay: Binding affinity to human C21orf2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 41093.71 nM (pChEMBL 4.389999866485596)
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: Cilia- and flagella-associated protein 410 (SINGLE PROTEIN), Homo sapiens
UniProt: O43822
Assay: Binding affinity to human C21orf2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 46776.47 nM (pChEMBL 4.329999923706055)
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: C2 domain-containing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86YS7
Assay: Binding affinity to human C2CD5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.633 nM (pChEMBL 8.020000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: C2 domain-containing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86YS7
Assay: Binding affinity to human C2CD5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.67 nM (pChEMBL 7.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein cholesin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRJ6
Assay: Binding affinity to human C7orf50 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15.12 nM (pChEMBL 7.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein cholesin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRJ6
Assay: Binding affinity to human C7orf50 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15.12 nM (pChEMBL 7.820000171661377)
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: Calcium-binding protein 39 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y376
Assay: Binding affinity to human CAB39 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 157.3 nM (pChEMBL 6.800000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcium-binding protein 39 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y376
Assay: Binding affinity to human CAB39 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 157.3 nM (pChEMBL 6.800000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: CDK5 and ABL1 enzyme substrate 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDN4
Assay: Binding affinity to human CABLES1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 545.75 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: CDK5 and ABL1 enzyme substrate 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDN4
Assay: Binding affinity to human CABLES1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 993.12 nM (pChEMBL 6)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcyclin-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HB71
Assay: Binding affinity to human CACYBP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 33243.61 nM (pChEMBL 4.480000019073486)
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: Calcyclin-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HB71
Assay: Binding affinity to human CACYBP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 33243.61 nM (pChEMBL 4.480000019073486)
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: Multifunctional protein CAD (SINGLE PROTEIN), Homo sapiens
UniProt: P27708
Assay: Binding affinity to human CAD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.645 nM (pChEMBL 8.579999923706055)
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: Multifunctional protein CAD (SINGLE PROTEIN), Homo sapiens
UniProt: P27708
Assay: Binding affinity to human CAD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.645 nM (pChEMBL 8.579999923706055)
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: Calmodulin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DP23
Assay: Binding affinity to human CALM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 110.36 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calmodulin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P0DP23
Assay: Binding affinity to human CALM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 110.36 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calreticulin (SINGLE PROTEIN), Homo sapiens
UniProt: P27797
Assay: Binding affinity to human CALR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 24341.74 nM (pChEMBL 4.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calreticulin (SINGLE PROTEIN), Homo sapiens
UniProt: P27797
Assay: Binding affinity to human CALR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 24341.74 nM (pChEMBL 4.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calumenin (SINGLE PROTEIN), Homo sapiens
UniProt: O43852
Assay: Binding affinity to human CALU incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1724.8 nM (pChEMBL 5.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calumenin (SINGLE PROTEIN), Homo sapiens
UniProt: O43852
Assay: Binding affinity to human CALU incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1724.8 nM (pChEMBL 5.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13554
Assay: Binding affinity to human CAMK2B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2597.3 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13554
Assay: Binding affinity to human CAMK2B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17359.22 nM (pChEMBL 4.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: Binding affinity to human CAMK2D incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 22.41 nM (pChEMBL 7.650000095367432)
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: Calcium/calmodulin-dependent protein kinase type II subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13557
Assay: Binding affinity to human CAMK2D incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 109.91 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type II subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: Q13555
Assay: Binding affinity to human CAMK2G incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38.37 nM (pChEMBL 7.420000076293945)
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: Calcium/calmodulin-dependent protein kinase type II subunit gamma (SINGLE PROTEIN), Homo sapiens
UniProt: Q13555
Assay: Binding affinity to human CAMK2G incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 176.66 nM (pChEMBL 6.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type IV (SINGLE PROTEIN), Homo sapiens
UniProt: Q16566
Assay: Binding affinity to human CAMK4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2343.21 nM (pChEMBL 5.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calcium/calmodulin-dependent protein kinase type IV (SINGLE PROTEIN), Homo sapiens
UniProt: Q16566
Assay: Binding affinity to human CAMK4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2343.21 nM (pChEMBL 5.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cullin-associated NEDD8-dissociated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86VP6
Assay: Binding affinity to human CAND1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 110.36 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cullin-associated NEDD8-dissociated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86VP6
Assay: Binding affinity to human CAND1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 110.36 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calnexin (SINGLE PROTEIN), Homo sapiens
UniProt: P27824
Assay: Binding affinity to human CANX incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5636.7 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: Calnexin (SINGLE PROTEIN), Homo sapiens
UniProt: P27824
Assay: Binding affinity to human CANX incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5636.7 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: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Binding affinity to human CAPN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3517.19 nM (pChEMBL 5.449999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calpain-1 catalytic subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P07384
Assay: Binding affinity to human CAPN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3517.19 nM (pChEMBL 5.449999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: F-actin-capping protein subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P52907
Assay: Binding affinity to human CAPZA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 305.14 nM (pChEMBL 6.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32