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: 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: ED50 = 23.48 nM (pChEMBL 7.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dynactin subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O75935
Assay: Binding affinity to human DCTN3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26847.94 nM (pChEMBL 4.570000171661377)
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: Dynactin subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O75935
Assay: Binding affinity to human DCTN3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26847.94 nM (pChEMBL 4.570000171661377)
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: dCTP pyrophosphatase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H773
Assay: Binding affinity to human DCTPP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 28.53 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: dCTP pyrophosphatase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H773
Assay: Binding affinity to human DCTPP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30.47 nM (pChEMBL 7.519999980926514)
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: Neuronal migration protein doublecortin (SINGLE PROTEIN), Homo sapiens
UniProt: O43602
Assay: Binding affinity to human DCX incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9398.08 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: Neuronal migration protein doublecortin (SINGLE PROTEIN), Homo sapiens
UniProt: O43602
Assay: Binding affinity to human DCX incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9398.08 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: L-xylulose reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z4W1
Assay: Binding affinity to human DCXR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.963 nM (pChEMBL 9.020000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: L-xylulose reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z4W1
Assay: Binding affinity to human DCXR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.963 nM (pChEMBL 9.020000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA damage-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16531
Assay: Binding affinity to human DDB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 138.87 nM (pChEMBL 6.860000133514404)
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: DNA damage-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16531
Assay: Binding affinity to human DDB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 138.87 nM (pChEMBL 6.860000133514404)
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: Aromatic-L-amino-acid decarboxylase (SINGLE PROTEIN), Homo sapiens
UniProt: P20711
Assay: Binding affinity to human DDC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1524.08 nM (pChEMBL 5.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aromatic-L-amino-acid decarboxylase (SINGLE PROTEIN), Homo sapiens
UniProt: P20711
Assay: Binding affinity to human DDC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1524.08 nM (pChEMBL 5.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Epithelial discoidin domain-containing receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q08345
Assay: Binding affinity to human DDR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 85.45 nM (pChEMBL 7.070000171661377)
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: Epithelial discoidin domain-containing receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q08345
Assay: Binding affinity to human DDR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 136.23 nM (pChEMBL 6.869999885559082)
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: Epithelial discoidin domain-containing receptor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q08345
Assay: Binding affinity to human DDR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 85.11 nM (pChEMBL 7.070000171661377)
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: Discoidin domain-containing receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16832
Assay: Binding affinity to human DDR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 295.04 nM (pChEMBL 6.53000020980835)
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: Discoidin domain-containing receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16832
Assay: Binding affinity to human DDR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 387.15 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: Discoidin domain-containing receptor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16832
Assay: Binding affinity to human DDR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 295.12 nM (pChEMBL 6.53000020980835)
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: DDRGK domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96HY6
Assay: Binding affinity to human DDRGK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 57.84 nM (pChEMBL 7.239999771118164)
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: DDRGK domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96HY6
Assay: Binding affinity to human DDRGK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57.84 nM (pChEMBL 7.239999771118164)
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: ATP-dependent RNA helicase DDX1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92499
Assay: Binding affinity to human DDX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26.1 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: ATP-dependent RNA helicase DDX1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92499
Assay: Binding affinity to human DDX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26.1 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: Probable ATP-dependent RNA helicase DDX17 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92841
Assay: Binding affinity to human DDX17 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16247.03 nM (pChEMBL 4.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Probable ATP-dependent RNA helicase DDX17 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92841
Assay: Binding affinity to human DDX17 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16247.03 nM (pChEMBL 4.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DDX18 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVP1
Assay: Binding affinity to human DDX18 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16.43 nM (pChEMBL 7.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DDX18 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVP1
Assay: Binding affinity to human DDX18 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16.43 nM (pChEMBL 7.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Probable ATP-dependent RNA helicase DDX20 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHI6
Assay: Binding affinity to human DDX20 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23.6 nM (pChEMBL 7.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Probable ATP-dependent RNA helicase DDX20 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHI6
Assay: Binding affinity to human DDX20 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 28.52 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: ATP-dependent RNA helicase DDX42 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86XP3
Assay: Binding affinity to human DDX42 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 91833.48 nM (pChEMBL 4.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DDX42 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86XP3
Assay: Binding affinity to human DDX42 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 91833.48 nM (pChEMBL 4.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DDX3X (SINGLE PROTEIN), Homo sapiens
UniProt: O00571
Assay: Binding affinity to human DDX3X incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6.833 nM (pChEMBL 8.15999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DDX3X (SINGLE PROTEIN), Homo sapiens
UniProt: O00571
Assay: Binding affinity to human DDX3X incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.833 nM (pChEMBL 8.15999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spliceosome RNA helicase DDX39B (SINGLE PROTEIN), Homo sapiens
UniProt: Q13838
Assay: Binding affinity to human DDX39B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 956.79 nM (pChEMBL 6.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spliceosome RNA helicase DDX39B (SINGLE PROTEIN), Homo sapiens
UniProt: Q13838
Assay: Binding affinity to human DDX39B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 956.79 nM (pChEMBL 6.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DDX24 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZR7
Assay: Binding affinity to human DDX24 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 100.47 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: ATP-dependent RNA helicase DDX24 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZR7
Assay: Binding affinity to human DDX24 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 100.47 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: Probable ATP-dependent RNA helicase DDX5 (SINGLE PROTEIN), Homo sapiens
UniProt: P17844
Assay: Binding affinity to human DDX5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15.73 nM (pChEMBL 7.800000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Probable ATP-dependent RNA helicase DDX5 (SINGLE PROTEIN), Homo sapiens
UniProt: P17844
Assay: Binding affinity to human DDX5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15.73 nM (pChEMBL 7.800000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Probable ATP-dependent RNA helicase DDX6 (SINGLE PROTEIN), Homo sapiens
UniProt: P26196
Assay: Binding affinity to human DDX6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 110.54 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Probable ATP-dependent RNA helicase DDX6 (SINGLE PROTEIN), Homo sapiens
UniProt: P26196
Assay: Binding affinity to human DDX6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 110.54 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing], mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q16698
Assay: Binding affinity to human DECR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10454.73 nM (pChEMBL 4.980000019073486)
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: 2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing], mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q16698
Assay: Binding affinity to human DECR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10454.73 nM (pChEMBL 4.980000019073486)
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: Peroxisomal 2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing] (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NUI1
Assay: Binding affinity to human DECR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 720839.7 nM (pChEMBL 3.140000104904175)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Density-regulated protein (SINGLE PROTEIN), Homo sapiens
UniProt: O43583
Assay: Binding affinity to human DENR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.571 nM (pChEMBL 8.020000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Density-regulated protein (SINGLE PROTEIN), Homo sapiens
UniProt: O43583
Assay: Binding affinity to human DENR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.571 nM (pChEMBL 8.020000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Deoxyribose-phosphate aldolase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y315
Assay: Binding affinity to human DERA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2417.24 nM (pChEMBL 5.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Deoxyribose-phosphate aldolase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y315
Assay: Binding affinity to human DERA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2450.89 nM (pChEMBL 5.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Derlin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUN8
Assay: Binding affinity to human DERL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27971.37 nM (pChEMBL 4.550000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Derlin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUN8
Assay: Binding affinity to human DERL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27971.37 nM (pChEMBL 4.550000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Diacylglycerol O-acyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75907
Assay: Binding affinity to human DGAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.155 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: Diacylglycerol O-acyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75907
Assay: Binding affinity to human DGAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.155 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: Delta(24)-sterol reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q15392
Assay: Binding affinity to human DHCR24 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38334.38 nM (pChEMBL 4.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Delta(24)-sterol reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q15392
Assay: Binding affinity to human DHCR24 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 38334.38 nM (pChEMBL 4.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 7-dehydrocholesterol reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBM7
Assay: Binding affinity to human DHCR7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.497 nM (pChEMBL 8.260000228881836)
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: 7-dehydrocholesterol reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBM7
Assay: Binding affinity to human DHCR7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.497 nM (pChEMBL 8.260000228881836)
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: Deoxyhypusine synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P49366
Assay: Binding affinity to human DHPS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 51165.21 nM (pChEMBL 4.289999961853027)
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: Deoxyhypusine synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P49366
Assay: Binding affinity to human DHPS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55742.46 nM (pChEMBL 4.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DHX15 (SINGLE PROTEIN), Homo sapiens
UniProt: O43143
Assay: Binding affinity to human DHX15 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23047.14 nM (pChEMBL 4.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DHX15 (SINGLE PROTEIN), Homo sapiens
UniProt: O43143
Assay: Binding affinity to human DHX15 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 23047.14 nM (pChEMBL 4.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent DNA/RNA helicase DHX36 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2U1
Assay: Binding affinity to human DHX36 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9558.61 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: ATP-dependent DNA/RNA helicase DHX36 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2U1
Assay: Binding affinity to human DHX36 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9558.61 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: Protein diaphanous homolog 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60610
Assay: Binding affinity to human DIAPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1439.62 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: Protein diaphanous homolog 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60610
Assay: Binding affinity to human DIAPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1439.62 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: Dimethyladenosine transferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNQ2
Assay: Binding affinity to human DIMT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 572.2 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: Dimethyladenosine transferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNQ2
Assay: Binding affinity to human DIMT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 572.2 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: Exosome complex exonuclease RRP44 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2L1
Assay: Binding affinity to human DIS3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 150555.53 nM (pChEMBL 3.819999933242798)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: H/ACA ribonucleoprotein complex subunit DKC1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60832
Assay: Binding affinity to human DKC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5989.49 nM (pChEMBL 5.21999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: H/ACA ribonucleoprotein complex subunit DKC1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60832
Assay: Binding affinity to human DKC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5989.49 nM (pChEMBL 5.21999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P10515
Assay: Binding affinity to human DLAT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 54.52 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: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P10515
Assay: Binding affinity to human DLAT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55.05 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: Dihydrolipoyl dehydrogenase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P09622
Assay: Binding affinity to human DLD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10793.26 nM (pChEMBL 4.96999979019165)
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: Dihydrolipoyl dehydrogenase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P09622
Assay: Binding affinity to human DLD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10793.26 nM (pChEMBL 4.96999979019165)
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: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P36957
Assay: Binding affinity to human DLST incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1863.59 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: Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P36957
Assay: Binding affinity to human DLST incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1863.59 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: Dynein axonemal heavy chain 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6ZR08
Assay: Binding affinity to human DNAH12 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7.34 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: Dynein axonemal heavy chain 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6ZR08
Assay: Binding affinity to human DNAH12 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.58 nM (pChEMBL 7.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DnaJ homolog subfamily A member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P31689
Assay: Binding affinity to human DNAJA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2863.97 nM (pChEMBL 5.539999961853027)
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: DnaJ homolog subfamily A member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P31689
Assay: Binding affinity to human DNAJA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2863.97 nM (pChEMBL 5.539999961853027)
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: DnaJ homolog subfamily A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60884
Assay: Binding affinity to human DNAJA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 41131.86 nM (pChEMBL 4.389999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DnaJ homolog subfamily A member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O60884
Assay: Binding affinity to human DNAJA2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 41131.86 nM (pChEMBL 4.389999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DnaJ homolog subfamily A member 3, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q96EY1
Assay: Binding affinity to human DNAJA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 189.76 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: DnaJ homolog subfamily A member 3, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q96EY1
Assay: Binding affinity to human DNAJA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 193.07 nM (pChEMBL 6.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DnaJ homolog subfamily B member 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBS4
Assay: Binding affinity to human DNAJB11 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 24267.97 nM (pChEMBL 4.619999885559082)
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: DnaJ homolog subfamily B member 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBS4
Assay: Binding affinity to human DNAJB11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 24267.97 nM (pChEMBL 4.619999885559082)
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: DnaJ homolog subfamily B member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXW2
Assay: Binding affinity to human DNAJB12 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.81 nM (pChEMBL 9.09000015258789)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DnaJ homolog subfamily B member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXW2
Assay: Binding affinity to human DNAJB12 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.81 nM (pChEMBL 9.09000015258789)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DnaJ homolog subfamily C member 10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IXB1
Assay: Binding affinity to human DNAJC10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3274.94 nM (pChEMBL 5.489999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DnaJ homolog subfamily C member 10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IXB1
Assay: Binding affinity to human DNAJC10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3274.94 nM (pChEMBL 5.489999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DnaJ homolog subfamily C member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3Z4
Assay: Binding affinity to human DNAJC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 83419.25 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DnaJ homolog subfamily C member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3Z4
Assay: Binding affinity to human DNAJC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 142158.6 nM (pChEMBL 3.8499999046325684)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dynamin-1-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: O00429
Assay: Binding affinity to human DNM1L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 42763.87 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: Dynamin-1-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: O00429
Assay: Binding affinity to human DNM1L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 42763.87 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: Dynamin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P50570
Assay: Binding affinity to human DNM2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 470.93 nM (pChEMBL 6.329999923706055)
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: Dynamin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P50570
Assay: Binding affinity to human DNM2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 470.93 nM (pChEMBL 6.329999923706055)
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: Aspartyl aminopeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9ULA0
Assay: Binding affinity to human DNPEP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1529.56 nM (pChEMBL 5.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aspartyl aminopeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9ULA0
Assay: Binding affinity to human DNPEP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1529.56 nM (pChEMBL 5.820000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 5-hydroxymethyl-dUMP N-hydrolase (SINGLE PROTEIN), Homo sapiens
UniProt: O43598
Assay: Binding affinity to human DNPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1375.02 nM (pChEMBL 5.860000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 5-hydroxymethyl-dUMP N-hydrolase (SINGLE PROTEIN), Homo sapiens
UniProt: O43598
Assay: Binding affinity to human DNPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1936.53 nM (pChEMBL 5.710000038146973)
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: Dedicator of cytokinesis protein 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5JSL3
Assay: Binding affinity to human DOCK11 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 125.77 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dedicator of cytokinesis protein 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5JSL3
Assay: Binding affinity to human DOCK11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 125.77 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dolichol-phosphate mannosyltransferase subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60762
Assay: Binding affinity to human DPM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2897.2 nM (pChEMBL 5.539999961853027)
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: Dolichol-phosphate mannosyltransferase subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O60762
Assay: Binding affinity to human DPM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2897.2 nM (pChEMBL 5.539999961853027)
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: Dipeptidyl peptidase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NY33
Assay: Binding affinity to human DPP3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 96849.79 nM (pChEMBL 4.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dipeptidyl peptidase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NY33
Assay: Binding affinity to human DPP3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 96849.79 nM (pChEMBL 4.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dipeptidyl peptidase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHL4
Assay: Binding affinity to human DPP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 503.98 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: Dipeptidyl peptidase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHL4
Assay: Binding affinity to human DPP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 503.98 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: Dihydropyrimidinase-related protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16555
Assay: Binding affinity to human DPYSL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8627.72 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: Dihydropyrimidinase-related protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16555
Assay: Binding affinity to human DPYSL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8627.72 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: Dihydropyrimidinase-related protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14195
Assay: Binding affinity to human DPYSL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 605.73 nM (pChEMBL 6.21999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dihydropyrimidinase-related protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14195
Assay: Binding affinity to human DPYSL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 639.31 nM (pChEMBL 6.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Developmentally-regulated GTP-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y295
Assay: Binding affinity to human DRG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1413.44 nM (pChEMBL 5.849999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32