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: Crk-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: P46109
Assay: Binding affinity to human CRKL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9416.66 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: Crk-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: P46109
Assay: Binding affinity to human CRKL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10187.88 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: Eukaryotic translation initiation factor 3 subunit M (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L2H7
Assay: Binding affinity to human EIF3M incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.3 nM (pChEMBL 7.300000190734863)
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: Eukaryotic translation initiation factor 3 subunit M (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L2H7
Assay: Binding affinity to human EIF3M incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50.3 nM (pChEMBL 7.300000190734863)
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: Eukaryotic translation initiation factor 3 subunit L (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y262
Assay: Binding affinity to human EIF3L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 71.43 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: Eukaryotic translation initiation factor 3 subunit L (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y262
Assay: Binding affinity to human EIF3L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 71.43 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: Eukaryotic translation initiation factor 3 subunit K (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBQ5
Assay: Binding affinity to human EIF3K incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 921.69 nM (pChEMBL 6.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit K (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBQ5
Assay: Binding affinity to human EIF3K incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 921.69 nM (pChEMBL 6.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit J (SINGLE PROTEIN), Homo sapiens
UniProt: O75822
Assay: Binding affinity to human EIF3J incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 540.25 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit J (SINGLE PROTEIN), Homo sapiens
UniProt: O75822
Assay: Binding affinity to human EIF3J incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 540.25 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit H (SINGLE PROTEIN), Homo sapiens
UniProt: O15372
Assay: Binding affinity to human EIF3H incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 179.03 nM (pChEMBL 6.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit H (SINGLE PROTEIN), Homo sapiens
UniProt: O15372
Assay: Binding affinity to human EIF3H incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 179.03 nM (pChEMBL 6.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit I (SINGLE PROTEIN), Homo sapiens
UniProt: Q13347
Assay: Binding affinity to human EIF3I incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 35486.14 nM (pChEMBL 4.449999809265137)
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: Eukaryotic translation initiation factor 3 subunit I (SINGLE PROTEIN), Homo sapiens
UniProt: Q13347
Assay: Binding affinity to human EIF3I incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 35486.14 nM (pChEMBL 4.449999809265137)
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: Eukaryotic translation initiation factor 3 subunit G (SINGLE PROTEIN), Homo sapiens
UniProt: O75821
Assay: Binding affinity to human EIF3G incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10.45 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: Eukaryotic translation initiation factor 3 subunit G (SINGLE PROTEIN), Homo sapiens
UniProt: O75821
Assay: Binding affinity to human EIF3G incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10.45 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: Eukaryotic translation initiation factor 3 subunit E (SINGLE PROTEIN), Homo sapiens
UniProt: P60228
Assay: Binding affinity to human EIF3E incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 512.17 nM (pChEMBL 6.289999961853027)
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: Eukaryotic translation initiation factor 3 subunit E (SINGLE PROTEIN), Homo sapiens
UniProt: P60228
Assay: Binding affinity to human EIF3E incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 512.17 nM (pChEMBL 6.289999961853027)
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: Eukaryotic translation initiation factor 3 subunit F (SINGLE PROTEIN), Homo sapiens
UniProt: O00303
Assay: Binding affinity to human EIF3F incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3472841.71 nM (pChEMBL 2.4600000381469727)
Descriptors: MW 503.49, ALogP 5.75, 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: Eukaryotic translation initiation factor 3 subunit D (SINGLE PROTEIN), Homo sapiens
UniProt: O15371
Assay: Binding affinity to human EIF3D incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.36 nM (pChEMBL 7.300000190734863)
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: Eukaryotic translation initiation factor 3 subunit D (SINGLE PROTEIN), Homo sapiens
UniProt: O15371
Assay: Binding affinity to human EIF3D incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50.36 nM (pChEMBL 7.300000190734863)
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: Eukaryotic translation initiation factor 3 subunit A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14152
Assay: Binding affinity to human EIF3A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 76.5 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: Eukaryotic translation initiation factor 3 subunit A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14152
Assay: Binding affinity to human EIF3A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 76.5 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: Eukaryotic translation initiation factor 3 subunit B (SINGLE PROTEIN), Homo sapiens
UniProt: P55884
Assay: Binding affinity to human EIF3B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.946 nM (pChEMBL 8.710000038146973)
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: Eukaryotic translation initiation factor 3 subunit B (SINGLE PROTEIN), Homo sapiens
UniProt: P55884
Assay: Binding affinity to human EIF3B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.946 nM (pChEMBL 8.710000038146973)
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: Citrate synthase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75390
Assay: Binding affinity to human CS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 62370.32 nM (pChEMBL 4.210000038146973)
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: Citrate synthase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75390
Assay: Binding affinity to human CS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 62370.32 nM (pChEMBL 4.210000038146973)
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: Cold shock domain-containing protein E1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75534
Assay: Binding affinity to human CSDE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 99.05 nM (pChEMBL 7)
Descriptors: MW 503.49, ALogP 5.75, 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: Cold shock domain-containing protein E1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75534
Assay: Binding affinity to human CSDE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 99.05 nM (pChEMBL 7)
Descriptors: MW 503.49, ALogP 5.75, 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: Exportin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P55060
Assay: Binding affinity to human CSE1L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 486.82 nM (pChEMBL 6.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Exportin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P55060
Assay: Binding affinity to human CSE1L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 486.82 nM (pChEMBL 6.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase CSK (SINGLE PROTEIN), Homo sapiens
UniProt: P41240
Assay: Binding affinity to human CSK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1003.66 nM (pChEMBL 6)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tyrosine-protein kinase CSK (SINGLE PROTEIN), Homo sapiens
UniProt: P41240
Assay: Binding affinity to human CSK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1864.89 nM (pChEMBL 5.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: Binding affinity to human CSNK1A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1038.47 nM (pChEMBL 5.980000019073486)
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: Casein kinase I isoform alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P48729
Assay: Binding affinity to human CSNK1A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1124.46 nM (pChEMBL 5.949999809265137)
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: Casein kinase I isoform delta (SINGLE PROTEIN), Homo sapiens
UniProt: P48730
Assay: Binding affinity to human CSNK1D incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.48 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: Casein kinase I isoform delta (SINGLE PROTEIN), Homo sapiens
UniProt: P48730
Assay: Binding affinity to human CSNK1D incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 63.8 nM (pChEMBL 7.199999809265137)
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: Casein kinase I isoform epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: P49674
Assay: Binding affinity to human CSNK1E incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.484 nM (pChEMBL 8.460000038146973)
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: Casein kinase I isoform epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: P49674
Assay: Binding affinity to human CSNK1E incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.076 nM (pChEMBL 8.390000343322754)
Descriptors: MW 503.49, ALogP 5.75, 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: Casein kinase I isoform gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCP0
Assay: Binding affinity to human CSNK1G1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2949.58 nM (pChEMBL 5.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Casein kinase I isoform gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HCP0
Assay: Binding affinity to human CSNK1G1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3407.72 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: Casein kinase I isoform gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P78368
Assay: Binding affinity to human CSNK1G2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12580.65 nM (pChEMBL 4.900000095367432)
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: Casein kinase I isoform gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P78368
Assay: Binding affinity to human CSNK1G2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14373.3 nM (pChEMBL 4.840000152587891)
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: Casein kinase I isoform gamma-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M4
Assay: Binding affinity to human CSNK1G3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6137.22 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: Casein kinase I isoform gamma-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M4
Assay: Binding affinity to human CSNK1G3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7805.96 nM (pChEMBL 5.110000133514404)
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: Casein kinase II subunit alpha' (SINGLE PROTEIN), Homo sapiens
UniProt: P19784
Assay: Binding affinity to human CSNK2A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 110367.51 nM (pChEMBL 3.9600000381469727)
Descriptors: MW 503.49, ALogP 5.75, 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: Casein kinase II subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P67870
Assay: Binding affinity to human CSNK2B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 88.88 nM (pChEMBL 7.050000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Casein kinase II subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P67870
Assay: Binding affinity to human CSNK2B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 88.88 nM (pChEMBL 7.050000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cystatin-B (SINGLE PROTEIN), Homo sapiens
UniProt: P04080
Assay: Binding affinity to human CSTB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12837.17 nM (pChEMBL 4.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cystatin-B (SINGLE PROTEIN), Homo sapiens
UniProt: P04080
Assay: Binding affinity to human CSTB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12837.17 nM (pChEMBL 4.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Catenin alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P35221
Assay: Binding affinity to human CTNNA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.44 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: Catenin alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P35221
Assay: Binding affinity to human CTNNA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.77 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: Beta-catenin-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WYA6
Assay: Binding affinity to human CTNNBL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4259.69 nM (pChEMBL 5.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Beta-catenin-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WYA6
Assay: Binding affinity to human CTNNBL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5274.17 nM (pChEMBL 5.28000020980835)
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: Catenin delta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60716
Assay: Binding affinity to human CTNND1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 58.77 nM (pChEMBL 7.230000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Catenin delta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60716
Assay: Binding affinity to human CTNND1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 58.77 nM (pChEMBL 7.230000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: CTP synthase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17812
Assay: Binding affinity to human CTPS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12994.68 nM (pChEMBL 4.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: CTP synthase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P17812
Assay: Binding affinity to human CTPS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12994.68 nM (pChEMBL 4.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Lysosomal protective protein (SINGLE PROTEIN), Homo sapiens
UniProt: P10619
Assay: Binding affinity to human CTSA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 55.26 nM (pChEMBL 7.260000228881836)
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: Lysosomal protective protein (SINGLE PROTEIN), Homo sapiens
UniProt: P10619
Assay: Binding affinity to human CTSA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55.26 nM (pChEMBL 7.260000228881836)
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: Cathepsin B (SINGLE PROTEIN), Homo sapiens
UniProt: P07858
Assay: Binding affinity to human CTSB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18118.44 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: Cathepsin B (SINGLE PROTEIN), Homo sapiens
UniProt: P07858
Assay: Binding affinity to human CTSB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18118.44 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: Dipeptidyl peptidase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53634
Assay: Binding affinity to human CTSC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1876.44 nM (pChEMBL 5.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dipeptidyl peptidase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P53634
Assay: Binding affinity to human CTSC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1876.44 nM (pChEMBL 5.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cathepsin D (SINGLE PROTEIN), Homo sapiens
UniProt: P07339
Assay: Binding affinity to human CTSD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 760093.97 nM (pChEMBL 3.119999885559082)
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: Cathepsin Z (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBR2
Assay: Binding affinity to human CTSZ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8668.94 nM (pChEMBL 5.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cathepsin Z (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBR2
Assay: Binding affinity to human CTSZ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8668.94 nM (pChEMBL 5.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Src substrate cortactin (SINGLE PROTEIN), Homo sapiens
UniProt: Q14247
Assay: Binding affinity to human CTTN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17333.44 nM (pChEMBL 4.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Src substrate cortactin (SINGLE PROTEIN), Homo sapiens
UniProt: Q14247
Assay: Binding affinity to human CTTN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 19586.09 nM (pChEMBL 4.710000038146973)
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: Cullin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13616
Assay: Binding affinity to human CUL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.097 nM (pChEMBL 8.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cullin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13616
Assay: Binding affinity to human CUL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.097 nM (pChEMBL 8.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cullin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13617
Assay: Binding affinity to human CUL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2512.23 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: Cullin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13617
Assay: Binding affinity to human CUL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3530.45 nM (pChEMBL 5.449999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cullin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13618
Assay: Binding affinity to human CUL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 860.88 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: Cullin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13618
Assay: Binding affinity to human CUL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1091.67 nM (pChEMBL 5.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein CutA (SINGLE PROTEIN), Homo sapiens
UniProt: O60888
Assay: Binding affinity to human CUTA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12741.72 nM (pChEMBL 4.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein CutA (SINGLE PROTEIN), Homo sapiens
UniProt: O60888
Assay: Binding affinity to human CUTA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16614.89 nM (pChEMBL 4.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spliceosome-associated protein CWC15 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P013
Assay: Binding affinity to human CWC15 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 78716.22 nM (pChEMBL 4.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spliceosome-associated protein CWC15 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P013
Assay: Binding affinity to human CWC15 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 78716.22 nM (pChEMBL 4.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome b-245 light chain (SINGLE PROTEIN), Homo sapiens
UniProt: P13498
Assay: Binding affinity to human CYBA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7281.48 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome b-245 light chain (SINGLE PROTEIN), Homo sapiens
UniProt: P13498
Assay: Binding affinity to human CYBA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7281.48 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome c1, heme protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P08574
Assay: Binding affinity to human CYC1 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: Cytochrome c1, heme protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P08574
Assay: Binding affinity to human CYC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 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: Cytochrome c (SINGLE PROTEIN), Homo sapiens
UniProt: P99999
Assay: Binding affinity to human CYCS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 107.33 nM (pChEMBL 6.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, 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: Cytochrome c (SINGLE PROTEIN), Homo sapiens
UniProt: P99999
Assay: Binding affinity to human CYCS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 107.33 nM (pChEMBL 6.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, 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: Cytoplasmic FMR1-interacting protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L576
Assay: Binding affinity to human CYFIP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2745.31 nM (pChEMBL 5.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytoplasmic FMR1-interacting protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L576
Assay: Binding affinity to human CYFIP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2745.31 nM (pChEMBL 5.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit DAD1 (SINGLE PROTEIN), Homo sapiens
UniProt: P61803
Assay: Binding affinity to human DAD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 32899.34 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: Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit DAD1 (SINGLE PROTEIN), Homo sapiens
UniProt: P61803
Assay: Binding affinity to human DAD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 32899.34 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: Triokinase/FMN cyclase (SINGLE PROTEIN), Homo sapiens
UniProt: Q3LXA3
Assay: Binding affinity to human DAK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 30796.56 nM (pChEMBL 4.510000228881836)
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: Triokinase/FMN cyclase (SINGLE PROTEIN), Homo sapiens
UniProt: Q3LXA3
Assay: Binding affinity to human DAK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30796.56 nM (pChEMBL 4.510000228881836)
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: Small ribosomal subunit protein mS29 (SINGLE PROTEIN), Homo sapiens
UniProt: P51398
Assay: Binding affinity to human DAP3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21256.84 nM (pChEMBL 4.670000076293945)
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: Small ribosomal subunit protein mS29 (SINGLE PROTEIN), Homo sapiens
UniProt: P51398
Assay: Binding affinity to human DAP3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21256.84 nM (pChEMBL 4.670000076293945)
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: Aspartate--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P14868
Assay: Binding affinity to human DARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6723.23 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: Aspartate--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P14868
Assay: Binding affinity to human DARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6723.23 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: DAZ-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96EP5
Assay: Binding affinity to human DAZAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19.17 nM (pChEMBL 7.71999979019165)
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: DAZ-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96EP5
Assay: Binding affinity to human DAZAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26.45 nM (pChEMBL 7.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dopamine beta-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: P09172
Assay: Binding affinity to human DBH incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3024.86 nM (pChEMBL 5.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dopamine beta-hydroxylase (SINGLE PROTEIN), Homo sapiens
UniProt: P09172
Assay: Binding affinity to human DBH incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3138.34 nM (pChEMBL 5.5)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Acyl-CoA-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: P07108
Assay: Binding affinity to human DBI incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 92.86 nM (pChEMBL 7.03000020980835)
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: Acyl-CoA-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: P07108
Assay: Binding affinity to human DBI incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 92.86 nM (pChEMBL 7.03000020980835)
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: Drebrin (SINGLE PROTEIN), Homo sapiens
UniProt: Q16643
Assay: Binding affinity to human DBN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 498.33 nM (pChEMBL 6.300000190734863)
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: Drebrin (SINGLE PROTEIN), Homo sapiens
UniProt: Q16643
Assay: Binding affinity to human DBN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3035.52 nM (pChEMBL 5.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Drebrin-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UJU6
Assay: Binding affinity to human DBNL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.902 nM (pChEMBL 8.229999542236328)
Descriptors: MW 503.49, ALogP 5.75, 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: Drebrin-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UJU6
Assay: Binding affinity to human DBNL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.902 nM (pChEMBL 8.229999542236328)
Descriptors: MW 503.49, ALogP 5.75, 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: DDB1- and CUL4-associated factor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P61962
Assay: Binding affinity to human DCAF7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 165.14 nM (pChEMBL 6.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DDB1- and CUL4-associated factor 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P61962
Assay: Binding affinity to human DCAF7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 184.22 nM (pChEMBL 6.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Deoxycytidine kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P27707
Assay: Binding affinity to human DCK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.094 nM (pChEMBL 8.510000228881836)
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: Deoxycytidine kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P27707
Assay: Binding affinity to human DCK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.094 nM (pChEMBL 8.510000228881836)
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: m7GpppX diphosphatase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96C86
Assay: Binding affinity to human DCPS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 87818.83 nM (pChEMBL 4.059999942779541)
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: m7GpppX diphosphatase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96C86
Assay: Binding affinity to human DCPS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 87818.83 nM (pChEMBL 4.059999942779541)
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: Deoxycytidylate deaminase (SINGLE PROTEIN), Homo sapiens
UniProt: P32321
Assay: Binding affinity to human DCTD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 42.27 nM (pChEMBL 7.369999885559082)
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: Deoxycytidylate deaminase (SINGLE PROTEIN), Homo sapiens
UniProt: P32321
Assay: Binding affinity to human DCTD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 54.7 nM (pChEMBL 7.260000228881836)
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: Dynactin subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14203
Assay: Binding affinity to human DCTN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23.48 nM (pChEMBL 7.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32