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: Mitogen-activated protein kinase kinase kinase kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IVH8
Assay: Binding affinity to human MAP4K3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 28671.55 nM (pChEMBL 4.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O95819
Assay: Binding affinity to human MAP4K4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 222.18 nM (pChEMBL 6.650000095367432)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O95819
Assay: Binding affinity to human MAP4K4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 222.18 nM (pChEMBL 6.650000095367432)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4K4
Assay: Binding affinity to human MAP4K5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9949.53 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: Mitogen-activated protein kinase kinase kinase kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4K4
Assay: Binding affinity to human MAP4K5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13370.79 nM (pChEMBL 4.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ensconsin (SINGLE PROTEIN), Homo sapiens
UniProt: Q14244
Assay: Binding affinity to human MAP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7.402 nM (pChEMBL 8.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ensconsin (SINGLE PROTEIN), Homo sapiens
UniProt: Q14244
Assay: Binding affinity to human MAP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7.402 nM (pChEMBL 8.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28482
Assay: Binding affinity to human MAPK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21.82 nM (pChEMBL 7.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P28482
Assay: Binding affinity to human MAPK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 47.06 nM (pChEMBL 7.329999923706055)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Binding affinity to human MAPK10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1444.81 nM (pChEMBL 5.840000152587891)
Descriptors: MW 503.49, ALogP 5.75, 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: Mitogen-activated protein kinase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: P53779
Assay: Binding affinity to human MAPK10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1719.02 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: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15759
Assay: Binding affinity to human MAPK11 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4842.15 nM (pChEMBL 5.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15759
Assay: Binding affinity to human MAPK11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6690.04 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: Binding affinity to human MAPK14 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9301.79 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: Mitogen-activated protein kinase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16539
Assay: Binding affinity to human MAPK14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18163.84 nM (pChEMBL 4.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 15 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TD08
Assay: Binding affinity to human MAPK15 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18.4 nM (pChEMBL 7.739999771118164)
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: Mitogen-activated protein kinase 15 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TD08
Assay: Binding affinity to human MAPK15 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 37.26 nM (pChEMBL 7.429999828338623)
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: Mitogen-activated protein kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P27361
Assay: Binding affinity to human MAPK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2497834.68 nM (pChEMBL 2.5999999046325684)
Descriptors: MW 503.49, ALogP 5.75, 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: Mitogen-activated protein kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13164
Assay: Binding affinity to human MAPK7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4467.08 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13164
Assay: Binding affinity to human MAPK7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5735.02 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: Mitogen-activated protein kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P45983
Assay: Binding affinity to human MAPK8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 29.28 nM (pChEMBL 7.53000020980835)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P45983
Assay: Binding affinity to human MAPK8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 45.19 nM (pChEMBL 7.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitogen-activated protein kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P45984
Assay: Binding affinity to human MAPK9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9596.5 nM (pChEMBL 5.019999980926514)
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: Mitogen-activated protein kinase 9 (SINGLE PROTEIN), Homo sapiens
UniProt: P45984
Assay: Binding affinity to human MAPK9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13711.82 nM (pChEMBL 4.860000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: Binding affinity to human MAPKAPK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 37.35 nM (pChEMBL 7.429999828338623)
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: MAP kinase-activated protein kinase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49137
Assay: Binding affinity to human MAPKAPK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 51.68 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IW41
Assay: Binding affinity to human MAPKAPK5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 43.66 nM (pChEMBL 7.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: MAP kinase-activated protein kinase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IW41
Assay: Binding affinity to human MAPKAPK5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 46.98 nM (pChEMBL 7.329999923706055)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Microtubule-associated protein RP/EB family member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15691
Assay: Binding affinity to human MAPRE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 92.21 nM (pChEMBL 7.039999961853027)
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: Microtubule-associated protein RP/EB family member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15691
Assay: Binding affinity to human MAPRE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 92.21 nM (pChEMBL 7.039999961853027)
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: Microtubule-associated protein RP/EB family member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15555
Assay: Binding affinity to human MAPRE2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 35028.42 nM (pChEMBL 4.460000038146973)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Microtubule-associated protein RP/EB family member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15555
Assay: Binding affinity to human MAPRE2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 35028.42 nM (pChEMBL 4.460000038146973)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Myristoylated alanine-rich C-kinase substrate (SINGLE PROTEIN), Homo sapiens
UniProt: P29966
Assay: Binding affinity to human MARCKS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 57074.83 nM (pChEMBL 4.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Myristoylated alanine-rich C-kinase substrate (SINGLE PROTEIN), Homo sapiens
UniProt: P29966
Assay: Binding affinity to human MARCKS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57074.83 nM (pChEMBL 4.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase MARK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZI7
Assay: Binding affinity to human MARK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20.83 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: Serine/threonine-protein kinase MARK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZI7
Assay: Binding affinity to human MARK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27.65 nM (pChEMBL 7.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: MAP/microtubule affinity-regulating kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P27448
Assay: Binding affinity to human MARK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 315.47 nM (pChEMBL 6.5)
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: MAP/microtubule affinity-regulating kinase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P27448
Assay: Binding affinity to human MARK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 409.23 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: Methionine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P56192
Assay: Binding affinity to human MARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6542.7 nM (pChEMBL 5.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Methionine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P56192
Assay: Binding affinity to human MARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6542.7 nM (pChEMBL 5.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: S-adenosylmethionine synthase isoform type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P31153
Assay: Binding affinity to human MAT2A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 25.69 nM (pChEMBL 7.590000152587891)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: S-adenosylmethionine synthase isoform type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P31153
Assay: Binding affinity to human MAT2A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 25.69 nM (pChEMBL 7.590000152587891)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Methionine adenosyltransferase 2 subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NZL9
Assay: Binding affinity to human MAT2B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.64 nM (pChEMBL 7.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Methionine adenosyltransferase 2 subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NZL9
Assay: Binding affinity to human MAT2B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 90.29 nM (pChEMBL 7.039999961853027)
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: Matrin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P43243
Assay: Binding affinity to human MATR3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 22.66 nM (pChEMBL 7.639999866485596)
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: Matrin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P43243
Assay: Binding affinity to human MATR3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 22.66 nM (pChEMBL 7.639999866485596)
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: Mitochondrial antiviral-signaling protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z434
Assay: Binding affinity to human MAVS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 392.68 nM (pChEMBL 6.409999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mitochondrial antiviral-signaling protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z434
Assay: Binding affinity to human MAVS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 393.86 nM (pChEMBL 6.409999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Importin subunit alpha-3 (SINGLE PROTEIN), Homo sapiens
UniProt: O00629
Assay: Binding affinity to human KPNA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27.04 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Importin subunit alpha-3 (SINGLE PROTEIN), Homo sapiens
UniProt: O00629
Assay: Binding affinity to human KPNA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Membrane-bound acylglycerophosphatidylinositol O-acyltransferase MBOAT7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96N66
Assay: Binding affinity to human MBOAT7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 201.98 nM (pChEMBL 6.699999809265137)
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: Membrane-bound acylglycerophosphatidylinositol O-acyltransferase MBOAT7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96N66
Assay: Binding affinity to human MBOAT7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 201.98 nM (pChEMBL 6.699999809265137)
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: Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCC0
Assay: Binding affinity to human MCCC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 101.89 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCC0
Assay: Binding affinity to human MCCC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 101.89 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA replication licensing factor MCM2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49736
Assay: Binding affinity to human MCM2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.398 nM (pChEMBL 8.619999885559082)
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: DNA replication licensing factor MCM2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49736
Assay: Binding affinity to human MCM2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.398 nM (pChEMBL 8.619999885559082)
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: DNA replication licensing factor MCM3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25205
Assay: Binding affinity to human MCM3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 28.92 nM (pChEMBL 7.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA replication licensing factor MCM3 (SINGLE PROTEIN), Homo sapiens
UniProt: P25205
Assay: Binding affinity to human MCM3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 28.92 nM (pChEMBL 7.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA replication licensing factor MCM4 (SINGLE PROTEIN), Homo sapiens
UniProt: P33991
Assay: Binding affinity to human MCM4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 76.29 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: DNA replication licensing factor MCM4 (SINGLE PROTEIN), Homo sapiens
UniProt: P33991
Assay: Binding affinity to human MCM4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 76.29 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: DNA replication licensing factor MCM5 (SINGLE PROTEIN), Homo sapiens
UniProt: P33992
Assay: Binding affinity to human MCM5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1559760.45 nM (pChEMBL 2.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA replication licensing factor MCM6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14566
Assay: Binding affinity to human MCM6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 342.65 nM (pChEMBL 6.460000038146973)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA replication licensing factor MCM6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14566
Assay: Binding affinity to human MCM6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 342.65 nM (pChEMBL 6.460000038146973)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA replication licensing factor MCM7 (SINGLE PROTEIN), Homo sapiens
UniProt: P33993
Assay: Binding affinity to human MCM7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50268.34 nM (pChEMBL 4.300000190734863)
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: DNA replication licensing factor MCM7 (SINGLE PROTEIN), Homo sapiens
UniProt: P33993
Assay: Binding affinity to human MCM7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50268.34 nM (pChEMBL 4.300000190734863)
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: Calcium uniporter protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE86
Assay: Binding affinity to human MCU incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 333.18 nM (pChEMBL 6.480000019073486)
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: Calcium uniporter protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NE86
Assay: Binding affinity to human MCU incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 356.29 nM (pChEMBL 6.449999809265137)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Malate dehydrogenase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P40926
Assay: Binding affinity to human MDH2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 53.32 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Malate dehydrogenase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P40926
Assay: Binding affinity to human MDH2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53.32 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Midasin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NU22
Assay: Binding affinity to human MDN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 47.96 nM (pChEMBL 7.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Midasin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NU22
Assay: Binding affinity to human MDN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 47.96 nM (pChEMBL 7.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NAD-dependent malic enzyme, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P23368
Assay: Binding affinity to human ME2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 32.97 nM (pChEMBL 7.480000019073486)
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: NAD-dependent malic enzyme, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P23368
Assay: Binding affinity to human ME2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 32.97 nM (pChEMBL 7.480000019073486)
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: Mediator of RNA polymerase II transcription subunit 23 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9ULK4
Assay: Binding affinity to human MED23 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4689.62 nM (pChEMBL 5.329999923706055)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mediator of RNA polymerase II transcription subunit 23 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9ULK4
Assay: Binding affinity to human MED23 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4728.3 nM (pChEMBL 5.329999923706055)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Maternal embryonic leucine zipper kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q14680
Assay: Binding affinity to human MELK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5807.69 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: Maternal embryonic leucine zipper kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q14680
Assay: Binding affinity to human MELK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6571.61 nM (pChEMBL 5.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase Mer (SINGLE PROTEIN), Homo sapiens
UniProt: Q12866
Assay: Binding affinity to human MERTK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 873272.05 nM (pChEMBL 3.059999942779541)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Hepatocyte growth factor receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08581
Assay: Binding affinity to human MET incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 523133.43 nM (pChEMBL 3.2799999713897705)
Descriptors: MW 503.49, ALogP 5.75, 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: Thiol S-methyltransferase TMT1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H8H3
Assay: Binding affinity to human METTL7A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2492.86 nM (pChEMBL 5.599999904632568)
Descriptors: MW 503.49, ALogP 5.75, 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: Thiol S-methyltransferase TMT1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H8H3
Assay: Binding affinity to human METTL7A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2974.74 nM (pChEMBL 5.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Major facilitator superfamily domain-containing protein 10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14728
Assay: Binding affinity to human MFSD10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 70.16 nM (pChEMBL 7.150000095367432)
Descriptors: MW 503.49, ALogP 5.75, 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: Major facilitator superfamily domain-containing protein 10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14728
Assay: Binding affinity to human MFSD10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 70.16 nM (pChEMBL 7.150000095367432)
Descriptors: MW 503.49, ALogP 5.75, 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: Microsomal glutathione S-transferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P10620
Assay: Binding affinity to human MGST1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3763.82 nM (pChEMBL 5.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Microsomal glutathione S-transferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P10620
Assay: Binding affinity to human MGST1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3763.82 nM (pChEMBL 5.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Glutathione S-transferase 3, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O14880
Assay: Binding affinity to human MGST3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 42807.54 nM (pChEMBL 4.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Glutathione S-transferase 3, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O14880
Assay: Binding affinity to human MGST3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 42807.54 nM (pChEMBL 4.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Transport and Golgi organization protein 1 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q5JRA6
Assay: Binding affinity to human MIA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 119588.43 nM (pChEMBL 3.9200000762939453)
Descriptors: MW 503.49, ALogP 5.75, 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: Misshapen-like kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4C8
Assay: Binding affinity to human MINK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 36363 nM (pChEMBL 4.440000057220459)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Misshapen-like kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4C8
Assay: Binding affinity to human MINK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 36363 nM (pChEMBL 4.440000057220459)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Proliferation marker protein Ki-67 (SINGLE PROTEIN), Homo sapiens
UniProt: P46013
Assay: Binding affinity to human MKI67 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 39.91 nM (pChEMBL 7.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Proliferation marker protein Ki-67 (SINGLE PROTEIN), Homo sapiens
UniProt: P46013
Assay: Binding affinity to human MKI67 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 39.91 nM (pChEMBL 7.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase makorin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13064
Assay: Binding affinity to human MKRN3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 206284.21 nM (pChEMBL 3.690000057220459)
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: Malectin (SINGLE PROTEIN), Homo sapiens
UniProt: Q14165
Assay: Binding affinity to human MLEC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7054.81 nM (pChEMBL 5.150000095367432)
Descriptors: MW 503.49, ALogP 5.75, 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: Malectin (SINGLE PROTEIN), Homo sapiens
UniProt: Q14165
Assay: Binding affinity to human MLEC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7054.81 nM (pChEMBL 5.150000095367432)
Descriptors: MW 503.49, ALogP 5.75, 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: Protein ENL (SINGLE PROTEIN), Homo sapiens
UniProt: Q03111
Assay: Binding affinity to human MLLT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 414.19 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: Protein ENL (SINGLE PROTEIN), Homo sapiens
UniProt: Q03111
Assay: Binding affinity to human MLLT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 414.19 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: Target of rapamycin complex subunit LST8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BVC4
Assay: Binding affinity to human MLST8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2144.17 nM (pChEMBL 5.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Target of rapamycin complex subunit LST8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BVC4
Assay: Binding affinity to human MLST8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2357.24 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Corrinoid adenosyltransferase MMAB (SINGLE PROTEIN), Homo sapiens
UniProt: Q96EY8
Assay: Binding affinity to human MMAB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 376.18 nM (pChEMBL 6.420000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Corrinoid adenosyltransferase MMAB (SINGLE PROTEIN), Homo sapiens
UniProt: Q96EY8
Assay: Binding affinity to human MMAB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 574.47 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ER membrane protein complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4V1
Assay: Binding affinity to human MMGT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2596.66 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ER membrane protein complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N4V1
Assay: Binding affinity to human MMGT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2596.66 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: MMS19 nucleotide excision repair protein homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q96T76
Assay: Binding affinity to human MMS19 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1301.4 nM (pChEMBL 5.889999866485596)
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: MMS19 nucleotide excision repair protein homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q96T76
Assay: Binding affinity to human MMS19 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1301.4 nM (pChEMBL 5.889999866485596)
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: CDK-activating kinase assembly factor MAT1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51948
Assay: Binding affinity to human MNAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2984.65 nM (pChEMBL 5.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: CDK-activating kinase assembly factor MAT1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51948
Assay: Binding affinity to human MNAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3398.63 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Meiosis-specific nuclear structural protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NEH6
Assay: Binding affinity to human MNS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 351.69 nM (pChEMBL 6.449999809265137)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Meiosis-specific nuclear structural protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NEH6
Assay: Binding affinity to human MNS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 351.69 nM (pChEMBL 6.449999809265137)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein MON2 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z3U7
Assay: Binding affinity to human MON2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 191.33 nM (pChEMBL 6.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein MON2 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z3U7
Assay: Binding affinity to human MON2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 191.33 nM (pChEMBL 6.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mannose-P-dolichol utilization defect 1 protein (SINGLE PROTEIN), Homo sapiens
UniProt: O75352
Assay: Binding affinity to human MPDU1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 60.8 nM (pChEMBL 7.21999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32