lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Autophagy-related protein 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O75143
Assay: Binding affinity to human ATG13 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1828.35 nM (pChEMBL 5.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 72.97 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 72.97 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 125.92 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 125.92 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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: Kd = 1991.92 nM (pChEMBL 5.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1991.92 nM (pChEMBL 5.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 552.65 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 552.65 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 33.47 nM (pChEMBL 7.46999979019165)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 33.47 nM (pChEMBL 7.46999979019165)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sodium/potassium-transporting ATPase subunit beta-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P54709
Assay: Binding affinity to human ATP1B3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 49.17 nM (pChEMBL 7.309999942779541)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sodium/potassium-transporting ATPase subunit beta-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P54709
Assay: Binding affinity to human ATP1B3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 49.17 nM (pChEMBL 7.309999942779541)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 23.16 nM (pChEMBL 7.630000114440918)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 23.16 nM (pChEMBL 7.630000114440918)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Calcium-transporting ATPase type 2C member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P98194
Assay: Binding affinity to human ATP2C1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 267077.35 nM (pChEMBL 3.569999933242798)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1741.11 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1741.11 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 2306.26 nM (pChEMBL 5.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 2306.26 nM (pChEMBL 5.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 2429.48 nM (pChEMBL 5.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 2429.48 nM (pChEMBL 5.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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: Kd = 97888.1 nM (pChEMBL 4.010000228881836)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 97888.1 nM (pChEMBL 4.010000228881836)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 11.28 nM (pChEMBL 7.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 11.28 nM (pChEMBL 7.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 55.73 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 55.73 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 531.17 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 531.17 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1.997 nM (pChEMBL 8.699999809265137)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1.997 nM (pChEMBL 8.699999809265137)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 213.88 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 213.88 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 20.61 nM (pChEMBL 7.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 20.61 nM (pChEMBL 7.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: V-type proton ATPase catalytic subunit A (SINGLE PROTEIN), Homo sapiens
UniProt: P38606
Assay: Binding affinity to human ATP6V1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1607.14 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: V-type proton ATPase catalytic subunit A (SINGLE PROTEIN), Homo sapiens
UniProt: P38606
Assay: Binding affinity to human ATP6V1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1607.14 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: V-type proton ATPase subunit B, brain isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P21281
Assay: Binding affinity to human ATP6V1B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20.89 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: V-type proton ATPase subunit B, brain isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P21281
Assay: Binding affinity to human ATP6V1B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 20.89 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: V-type proton ATPase subunit E 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36543
Assay: Binding affinity to human ATP6V1E1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 194.87 nM (pChEMBL 6.710000038146973)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: V-type proton ATPase subunit E 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P36543
Assay: Binding affinity to human ATP6V1E1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 194.87 nM (pChEMBL 6.710000038146973)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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: Kd = 9375.35 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 9375.35 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 2376.31 nM (pChEMBL 5.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 2376.31 nM (pChEMBL 5.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 10.58 nM (pChEMBL 7.980000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 10.58 nM (pChEMBL 7.980000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1466464.11 nM (pChEMBL 2.8299999237060547)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ataxin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99700
Assay: Binding affinity to human ATXN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 776.39 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ataxin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99700
Assay: Binding affinity to human ATXN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 776.39 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 10300.64 nM (pChEMBL 4.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 10300.64 nM (pChEMBL 4.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Lipid droplet-regulating VLDL assembly factor AUP1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y679
Assay: Binding affinity to human AUP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6217.47 nM (pChEMBL 5.210000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Lipid droplet-regulating VLDL assembly factor AUP1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y679
Assay: Binding affinity to human AUP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6282.13 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 3296.62 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 9320.27 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 75.15 nM (pChEMBL 7.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 128.4 nM (pChEMBL 6.889999866485596)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 4542.89 nM (pChEMBL 5.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 6472.82 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Elongation factor 1-beta (SINGLE PROTEIN), Homo sapiens
UniProt: P24534
Assay: Binding affinity to human EEF1B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 661.51 nM (pChEMBL 6.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Elongation factor 1-beta (SINGLE PROTEIN), Homo sapiens
UniProt: P24534
Assay: Binding affinity to human EEF1B2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 661.51 nM (pChEMBL 6.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Elongation factor 1-alpha 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05639
Assay: Binding affinity to human EEF1A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 412.41 nM (pChEMBL 6.380000114440918)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Elongation factor 1-alpha 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q05639
Assay: Binding affinity to human EEF1A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 412.41 nM (pChEMBL 6.380000114440918)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Beta-2-microglobulin (SINGLE PROTEIN), Homo sapiens
UniProt: P61769
Assay: Binding affinity to human B2M incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17686.43 nM (pChEMBL 4.75)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Beta-2-microglobulin (SINGLE PROTEIN), Homo sapiens
UniProt: P61769
Assay: Binding affinity to human B2M incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17686.43 nM (pChEMBL 4.75)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Large proline-rich protein BAG6 (SINGLE PROTEIN), Homo sapiens
UniProt: P46379
Assay: Binding affinity to human BAG6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.268 nM (pChEMBL 8.489999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Large proline-rich protein BAG6 (SINGLE PROTEIN), Homo sapiens
UniProt: P46379
Assay: Binding affinity to human BAG6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.268 nM (pChEMBL 8.489999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 18.63 nM (pChEMBL 7.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 18.63 nM (pChEMBL 7.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1703.23 nM (pChEMBL 5.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1703.23 nM (pChEMBL 5.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 953.94 nM (pChEMBL 6.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 953.94 nM (pChEMBL 6.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Branched-chain-amino-acid aminotransferase, cytosolic (SINGLE PROTEIN), Homo sapiens
UniProt: P54687
Assay: Binding affinity to human BCAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4999.12 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Branched-chain-amino-acid aminotransferase, cytosolic (SINGLE PROTEIN), Homo sapiens
UniProt: P54687
Assay: Binding affinity to human BCAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4999.12 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BRCA2 and CDKN1A-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P287
Assay: Binding affinity to human BCCIP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1591.74 nM (pChEMBL 5.800000190734863)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BRCA2 and CDKN1A-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P287
Assay: Binding affinity to human BCCIP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1591.74 nM (pChEMBL 5.800000190734863)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Bcl-2-like protein 13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXK5
Assay: Binding affinity to human BCL2L13 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 261.89 nM (pChEMBL 6.579999923706055)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Bcl-2-like protein 13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXK5
Assay: Binding affinity to human BCL2L13 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 261.89 nM (pChEMBL 6.579999923706055)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Bcl-2-associated transcription factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYF8
Assay: Binding affinity to human BCLAF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.406 nM (pChEMBL 8.270000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Bcl-2-associated transcription factor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYF8
Assay: Binding affinity to human BCLAF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.406 nM (pChEMBL 8.270000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 407.02 nM (pChEMBL 6.389999866485596)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 851.79 nM (pChEMBL 6.070000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BH3-interacting domain death agonist (SINGLE PROTEIN), Homo sapiens
UniProt: P55957
Assay: Binding affinity to human BID incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.119 nM (pChEMBL 8.039999961853027)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BH3-interacting domain death agonist (SINGLE PROTEIN), Homo sapiens
UniProt: P55957
Assay: Binding affinity to human BID incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.119 nM (pChEMBL 8.039999961853027)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 72.77 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 110.09 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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: Kd = 37082.32 nM (pChEMBL 4.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 60399.05 nM (pChEMBL 4.21999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 14.69 nM (pChEMBL 7.829999923706055)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 17.45 nM (pChEMBL 7.760000228881836)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BolA-like protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3K6
Assay: Binding affinity to human BOLA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 32927.32 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BolA-like protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3K6
Assay: Binding affinity to human BOLA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 32927.32 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 3'(2'),5'-bisphosphate nucleotidase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O95861
Assay: Binding affinity to human BPNT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8.843 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 3'(2'),5'-bisphosphate nucleotidase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O95861
Assay: Binding affinity to human BPNT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8.843 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 9349.18 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 9349.18 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Bromodomain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25440
Assay: Binding affinity to human BRD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 555.99 nM (pChEMBL 6.25)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Bromodomain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P25440
Assay: Binding affinity to human BRD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 555.99 nM (pChEMBL 6.25)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BRI3-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WY22
Assay: Binding affinity to human BRI3BP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9980.61 nM (pChEMBL 5)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BRI3-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WY22
Assay: Binding affinity to human BRI3BP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9980.61 nM (pChEMBL 5)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ribosome biogenesis protein BRX1 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDN6
Assay: Binding affinity to human BRIX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1382.87 nM (pChEMBL 5.860000133514404)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ribosome biogenesis protein BRX1 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDN6
Assay: Binding affinity to human BRIX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1382.87 nM (pChEMBL 5.860000133514404)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BRO1 domain-containing protein BROX (SINGLE PROTEIN), Homo sapiens
UniProt: Q5VW32
Assay: Binding affinity to human BROX incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 48.97 nM (pChEMBL 7.309999942779541)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BRO1 domain-containing protein BROX (SINGLE PROTEIN), Homo sapiens
UniProt: Q5VW32
Assay: Binding affinity to human BROX incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 48.97 nM (pChEMBL 7.309999942779541)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Basigin (SINGLE PROTEIN), Homo sapiens
UniProt: P35613
Assay: Binding affinity to human BSG incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5699.75 nM (pChEMBL 5.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Basigin (SINGLE PROTEIN), Homo sapiens
UniProt: P35613
Assay: Binding affinity to human BSG incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5699.75 nM (pChEMBL 5.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1252706.08 nM (pChEMBL 2.9000000953674316)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transcription factor BTF3 (SINGLE PROTEIN), Homo sapiens
UniProt: P20290
Assay: Binding affinity to human BTF3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 237.6 nM (pChEMBL 6.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transcription factor BTF3 (SINGLE PROTEIN), Homo sapiens
UniProt: P20290
Assay: Binding affinity to human BTF3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 237.6 nM (pChEMBL 6.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32