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: Aldehyde dehydrogenase X, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P30837
Assay: Binding affinity to human ALDH1B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7.196 nM (pChEMBL 8.140000343322754)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aldehyde dehydrogenase X, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P30837
Assay: Binding affinity to human ALDH1B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7.196 nM (pChEMBL 8.140000343322754)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Alpha-aminoadipic semialdehyde dehydrogenase (SINGLE PROTEIN), Homo sapiens
UniProt: P49419
Assay: Binding affinity to human ALDH7A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.821 nM (pChEMBL 8.319999694824219)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Alpha-aminoadipic semialdehyde dehydrogenase (SINGLE PROTEIN), Homo sapiens
UniProt: P49419
Assay: Binding affinity to human ALDH7A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.821 nM (pChEMBL 8.319999694824219)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Fructose-bisphosphate aldolase A (SINGLE PROTEIN), Homo sapiens
UniProt: P04075
Assay: Binding affinity to human ALDOA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 71.55 nM (pChEMBL 7.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Fructose-bisphosphate aldolase A (SINGLE PROTEIN), Homo sapiens
UniProt: P04075
Assay: Binding affinity to human ALDOA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 71.55 nM (pChEMBL 7.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Chitobiosyldiphosphodolichol beta-mannosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BT22
Assay: Binding affinity to human ALG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15.57 nM (pChEMBL 7.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Chitobiosyldiphosphodolichol beta-mannosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BT22
Assay: Binding affinity to human ALG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16.33 nM (pChEMBL 7.789999961853027)
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: Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q92685
Assay: Binding affinity to human ALG3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 29.11 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: Dol-P-Man:Man(5)GlcNAc(2)-PP-Dol alpha-1,3-mannosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q92685
Assay: Binding affinity to human ALG3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 29.11 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: Dolichyl pyrophosphate Glc1Man9GlcNAc2 alpha-1,3-glucosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BVK2
Assay: Binding affinity to human ALG8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 72925.63 nM (pChEMBL 4.139999866485596)
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: Dolichyl pyrophosphate Glc1Man9GlcNAc2 alpha-1,3-glucosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BVK2
Assay: Binding affinity to human ALG8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 72925.63 nM (pChEMBL 4.139999866485596)
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: THO complex subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V81
Assay: Binding affinity to human ALYREF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4450.88 nM (pChEMBL 5.349999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: THO complex subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86V81
Assay: Binding affinity to human ALYREF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4450.88 nM (pChEMBL 5.349999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Anaphase-promoting complex subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UJX3
Assay: Binding affinity to human ANAPC7 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: Anaphase-promoting complex subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UJX3
Assay: Binding affinity to human ANAPC7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 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: Ankyrin repeat domain-containing protein 54 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6NXT1
Assay: Binding affinity to human ANKRD54 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38.79 nM (pChEMBL 7.409999847412109)
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: Ankyrin repeat domain-containing protein 54 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6NXT1
Assay: Binding affinity to human ANKRD54 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 38.79 nM (pChEMBL 7.409999847412109)
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: Acidic leucine-rich nuclear phosphoprotein 32 family member A (SINGLE PROTEIN), Homo sapiens
UniProt: P39687
Assay: Binding affinity to human ANP32A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12410.62 nM (pChEMBL 4.909999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Acidic leucine-rich nuclear phosphoprotein 32 family member A (SINGLE PROTEIN), Homo sapiens
UniProt: P39687
Assay: Binding affinity to human ANP32A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12410.62 nM (pChEMBL 4.909999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Acidic leucine-rich nuclear phosphoprotein 32 family member B (SINGLE PROTEIN), Homo sapiens
UniProt: Q92688
Assay: Binding affinity to human ANP32B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10076.29 nM (pChEMBL 5)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Acidic leucine-rich nuclear phosphoprotein 32 family member B (SINGLE PROTEIN), Homo sapiens
UniProt: Q92688
Assay: Binding affinity to human ANP32B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10076.29 nM (pChEMBL 5)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Annexin A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P04083
Assay: Binding affinity to human ANXA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 93746.63 nM (pChEMBL 4.03000020980835)
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: Annexin A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P04083
Assay: Binding affinity to human ANXA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 93746.63 nM (pChEMBL 4.03000020980835)
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: Annexin A11 (SINGLE PROTEIN), Homo sapiens
UniProt: P50995
Assay: Binding affinity to human ANXA11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1569455.13 nM (pChEMBL 2.799999952316284)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Annexin A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P12429
Assay: Binding affinity to human ANXA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.382 nM (pChEMBL 8.359999656677246)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Annexin A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P12429
Assay: Binding affinity to human ANXA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.382 nM (pChEMBL 8.359999656677246)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Annexin A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P09525
Assay: Binding affinity to human ANXA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15973.5 nM (pChEMBL 4.800000190734863)
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: Annexin A4 (SINGLE PROTEIN), Homo sapiens
UniProt: P09525
Assay: Binding affinity to human ANXA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15973.5 nM (pChEMBL 4.800000190734863)
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: Annexin A5 (SINGLE PROTEIN), Homo sapiens
UniProt: P08758
Assay: Binding affinity to human ANXA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 53.02 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: Annexin A5 (SINGLE PROTEIN), Homo sapiens
UniProt: P08758
Assay: Binding affinity to human ANXA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53.02 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: Annexin A6 (SINGLE PROTEIN), Homo sapiens
UniProt: P08133
Assay: Binding affinity to human ANXA6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 32.59 nM (pChEMBL 7.489999771118164)
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: Annexin A6 (SINGLE PROTEIN), Homo sapiens
UniProt: P08133
Assay: Binding affinity to human ANXA6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 32.59 nM (pChEMBL 7.489999771118164)
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: Annexin A7 (SINGLE PROTEIN), Homo sapiens
UniProt: P20073
Assay: Binding affinity to human ANXA7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 69.72 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Annexin A7 (SINGLE PROTEIN), Homo sapiens
UniProt: P20073
Assay: Binding affinity to human ANXA7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 69.72 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-1 complex subunit gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43747
Assay: Binding affinity to human AP1G1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1371.13 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: AP-1 complex subunit gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O43747
Assay: Binding affinity to human AP1G1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1371.13 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: AP-1 complex subunit mu-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXS5
Assay: Binding affinity to human AP1M1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 91.42 nM (pChEMBL 7.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-1 complex subunit mu-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BXS5
Assay: Binding affinity to human AP1M1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 91.42 nM (pChEMBL 7.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-2 complex subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O95782
Assay: Binding affinity to human AP2A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4391.42 nM (pChEMBL 5.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-2 complex subunit alpha-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O95782
Assay: Binding affinity to human AP2A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4780.84 nM (pChEMBL 5.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-2 complex subunit alpha-2 (SINGLE PROTEIN), Homo sapiens
UniProt: O94973
Assay: Binding affinity to human AP2A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12633.7 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: AP-2 complex subunit alpha-2 (SINGLE PROTEIN), Homo sapiens
UniProt: O94973
Assay: Binding affinity to human AP2A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13482.65 nM (pChEMBL 4.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-2 complex subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P63010
Assay: Binding affinity to human AP2B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 331.31 nM (pChEMBL 6.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-2 complex subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P63010
Assay: Binding affinity to human AP2B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 331.31 nM (pChEMBL 6.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-2 complex subunit mu (SINGLE PROTEIN), Homo sapiens
UniProt: Q96CW1
Assay: Binding affinity to human AP2M1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 210594.62 nM (pChEMBL 3.680000066757202)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-2 complex subunit sigma (SINGLE PROTEIN), Homo sapiens
UniProt: P53680
Assay: Binding affinity to human AP2S1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.89 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: AP-2 complex subunit sigma (SINGLE PROTEIN), Homo sapiens
UniProt: P53680
Assay: Binding affinity to human AP2S1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.89 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: AP-3 complex subunit beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00203
Assay: Binding affinity to human AP3B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 49.02 nM (pChEMBL 7.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-3 complex subunit beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00203
Assay: Binding affinity to human AP3B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 49.02 nM (pChEMBL 7.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AP-3 complex subunit mu-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2T2
Assay: Binding affinity to human AP3M1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3238.34 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: AP-3 complex subunit mu-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2T2
Assay: Binding affinity to human AP3M1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3238.34 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: AP-3 complex subunit sigma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92572
Assay: Binding affinity to human AP3S1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2466.41 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: AP-3 complex subunit sigma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92572
Assay: Binding affinity to human AP3S1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2466.41 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: Acylamino-acid-releasing enzyme (SINGLE PROTEIN), Homo sapiens
UniProt: P13798
Assay: Binding affinity to human APEH incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3139.91 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: Acylamino-acid-releasing enzyme (SINGLE PROTEIN), Homo sapiens
UniProt: P13798
Assay: Binding affinity to human APEH incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3751.39 nM (pChEMBL 5.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA repair nuclease/redox regulator APEX1 (SINGLE PROTEIN), Homo sapiens
UniProt: P27695
Assay: Binding affinity to human APEX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 72.87 nM (pChEMBL 7.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA repair nuclease/redox regulator APEX1 (SINGLE PROTEIN), Homo sapiens
UniProt: P27695
Assay: Binding affinity to human APEX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 72.87 nM (pChEMBL 7.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Apoptosis inhibitor 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZZ5
Assay: Binding affinity to human API5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56.21 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Apoptosis inhibitor 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BZZ5
Assay: Binding affinity to human API5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 56.21 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Adipocyte plasma membrane-associated protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HDC9
Assay: Binding affinity to human APMAP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 70.13 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: Adipocyte plasma membrane-associated protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HDC9
Assay: Binding affinity to human APMAP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 70.13 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: DNA dC->dU-editing enzyme APOBEC-3C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NRW3
Assay: Binding affinity to human APOBEC3C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 45268.58 nM (pChEMBL 4.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: DNA dC->dU-editing enzyme APOBEC-3C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NRW3
Assay: Binding affinity to human APOBEC3C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 45268.58 nM (pChEMBL 4.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Adenine phosphoribosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: P07741
Assay: Binding affinity to human APRT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13.08 nM (pChEMBL 7.880000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Adenine phosphoribosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: P07741
Assay: Binding affinity to human APRT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13.08 nM (pChEMBL 7.880000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase A-Raf (SINGLE PROTEIN), Homo sapiens
UniProt: P10398
Assay: Binding affinity to human ARAF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1338.82 nM (pChEMBL 5.869999885559082)
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: Serine/threonine-protein kinase A-Raf (SINGLE PROTEIN), Homo sapiens
UniProt: P10398
Assay: Binding affinity to human ARAF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2148.76 nM (pChEMBL 5.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Coatomer subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: P48444
Assay: Binding affinity to human ARCN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8378.67 nM (pChEMBL 5.079999923706055)
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: Coatomer subunit delta (SINGLE PROTEIN), Homo sapiens
UniProt: P48444
Assay: Binding affinity to human ARCN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8378.67 nM (pChEMBL 5.079999923706055)
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: ADP-ribosylation factor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P18085
Assay: Binding affinity to human ARF4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23.46 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: ADP-ribosylation factor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P18085
Assay: Binding affinity to human ARF4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 23.46 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: ADP-ribosylation factor 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P84085
Assay: Binding affinity to human ARF5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16989.65 nM (pChEMBL 4.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ADP-ribosylation factor 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P84085
Assay: Binding affinity to human ARF5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16989.65 nM (pChEMBL 4.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Brefeldin A-inhibited guanine nucleotide-exchange protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6D6
Assay: Binding affinity to human ARFGEF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 515.67 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: Brefeldin A-inhibited guanine nucleotide-exchange protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6D6
Assay: Binding affinity to human ARFGEF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 515.67 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: Rho GDP-dissociation inhibitor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P52565
Assay: Binding affinity to human ARHGDIA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 57004.68 nM (pChEMBL 4.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Rho GDP-dissociation inhibitor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P52565
Assay: Binding affinity to human ARHGDIA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57004.68 nM (pChEMBL 4.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Rho GDP-dissociation inhibitor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P52566
Assay: Binding affinity to human ARHGDIB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26575.52 nM (pChEMBL 4.579999923706055)
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: Rho GDP-dissociation inhibitor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P52566
Assay: Binding affinity to human ARHGDIB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26575.52 nM (pChEMBL 4.579999923706055)
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: Rho guanine nucleotide exchange factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92974
Assay: Binding affinity to human ARHGEF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 48.42 nM (pChEMBL 7.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Rho guanine nucleotide exchange factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92974
Assay: Binding affinity to human ARHGEF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 48.42 nM (pChEMBL 7.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AT-rich interactive domain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q68CP9
Assay: Binding affinity to human ARID2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4846.9 nM (pChEMBL 5.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AT-rich interactive domain-containing protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q68CP9
Assay: Binding affinity to human ARID2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5022.99 nM (pChEMBL 5.300000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ADP-ribosylation factor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P40616
Assay: Binding affinity to human ARL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2849.4 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: ADP-ribosylation factor-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P40616
Assay: Binding affinity to human ARL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2849.4 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: Actin-related protein 2/3 complex subunit 1B (SINGLE PROTEIN), Homo sapiens
UniProt: O15143
Assay: Binding affinity to human ARPC1B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.6 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: Actin-related protein 2/3 complex subunit 1B (SINGLE PROTEIN), Homo sapiens
UniProt: O15143
Assay: Binding affinity to human ARPC1B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 54.47 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: Actin-related protein 2/3 complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15144
Assay: Binding affinity to human ARPC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 47.93 nM (pChEMBL 7.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Actin-related protein 2/3 complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15144
Assay: Binding affinity to human ARPC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50.95 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Actin-related protein 2/3 complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O15145
Assay: Binding affinity to human ARPC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 66.59 nM (pChEMBL 7.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Actin-related protein 2/3 complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O15145
Assay: Binding affinity to human ARPC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 66.59 nM (pChEMBL 7.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Actin-related protein 2/3 complex subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P59998
Assay: Binding affinity to human ARPC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15780.68 nM (pChEMBL 4.800000190734863)
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: Actin-related protein 2/3 complex subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P59998
Assay: Binding affinity to human ARPC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15780.68 nM (pChEMBL 4.800000190734863)
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: Actin-related protein 2/3 complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O15511
Assay: Binding affinity to human ARPC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2927.16 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: Actin-related protein 2/3 complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O15511
Assay: Binding affinity to human ARPC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2927.16 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: Actin-related protein 2/3 complex subunit 5-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BPX5
Assay: Binding affinity to human ARPC5L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26.29 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: Actin-related protein 2/3 complex subunit 5-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BPX5
Assay: Binding affinity to human ARPC5L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 34.7 nM (pChEMBL 7.460000038146973)
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: Beta-arrestin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49407
Assay: Binding affinity to human ARRB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 45.21 nM (pChEMBL 7.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Beta-arrestin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49407
Assay: Binding affinity to human ARRB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 45.21 nM (pChEMBL 7.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Set1/Ash2 histone methyltransferase complex subunit ASH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBL3
Assay: Binding affinity to human ASH2L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10833.02 nM (pChEMBL 4.960000038146973)
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: Set1/Ash2 histone methyltransferase complex subunit ASH2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBL3
Assay: Binding affinity to human ASH2L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10833.02 nM (pChEMBL 4.960000038146973)
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: ATPase GET3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43681
Assay: Binding affinity to human ASNA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16.48 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: ATPase GET3 (SINGLE PROTEIN), Homo sapiens
UniProt: O43681
Assay: Binding affinity to human ASNA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16.48 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: Asparagine synthetase [glutamine-hydrolyzing] (SINGLE PROTEIN), Homo sapiens
UniProt: P08243
Assay: Binding affinity to human ASNS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 770.76 nM (pChEMBL 6.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Asparagine synthetase [glutamine-hydrolyzing] (SINGLE PROTEIN), Homo sapiens
UniProt: P08243
Assay: Binding affinity to human ASNS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 770.76 nM (pChEMBL 6.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Argininosuccinate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P00966
Assay: Binding affinity to human ASS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 57.88 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: Argininosuccinate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P00966
Assay: Binding affinity to human ASS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57.88 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: ATPase family AAA domain-containing protein 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVI7
Assay: Binding affinity to human ATAD3A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7993.36 nM (pChEMBL 5.099999904632568)
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: ATPase family AAA domain-containing protein 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NVI7
Assay: Binding affinity to human ATAD3A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7993.36 nM (pChEMBL 5.099999904632568)
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: ATPase family AAA domain-containing protein 3B (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T9A4
Assay: Binding affinity to human ATAD3B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18.59 nM (pChEMBL 7.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATPase family AAA domain-containing protein 3B (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T9A4
Assay: Binding affinity to human ATAD3B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18.83 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: Autophagy-related protein 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O75143
Assay: Binding affinity to human ATG13 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 893.68 nM (pChEMBL 6.050000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32