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: Acyl-CoA dehydrogenase family member 11 (SINGLE PROTEIN), Homo sapiens
UniProt: Q709F0
Assay: Binding affinity to human ACAD11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 136.65 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: Medium-chain specific acyl-CoA dehydrogenase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P11310
Assay: Binding affinity to human ACADM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 185710.24 nM (pChEMBL 3.7300000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P49748
Assay: Binding affinity to human ACADVL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.99 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: Very long-chain specific acyl-CoA dehydrogenase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P49748
Assay: Binding affinity to human ACADVL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50.99 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: Acetyl-CoA acetyltransferase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P24752
Assay: Binding affinity to human ACAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 533.02 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Acetyl-CoA acetyltransferase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P24752
Assay: Binding affinity to human ACAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 533.02 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Golgi resident protein GCP60 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3P7
Assay: Binding affinity to human ACBD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 41.55 nM (pChEMBL 7.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Golgi resident protein GCP60 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H3P7
Assay: Binding affinity to human ACBD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 41.55 nM (pChEMBL 7.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Apoptotic chromatin condensation inducer in the nucleus (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UKV3
Assay: Binding affinity to human ACIN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6970.76 nM (pChEMBL 5.159999847412109)
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: Apoptotic chromatin condensation inducer in the nucleus (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UKV3
Assay: Binding affinity to human ACIN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6970.76 nM (pChEMBL 5.159999847412109)
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: ATP-citrate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P53396
Assay: Binding affinity to human ACLY incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21403.64 nM (pChEMBL 4.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-citrate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P53396
Assay: Binding affinity to human ACLY incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21403.64 nM (pChEMBL 4.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytosolic acyl coenzyme A thioester hydrolase (SINGLE PROTEIN), Homo sapiens
UniProt: O00154
Assay: Binding affinity to human ACOT7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 167.74 nM (pChEMBL 6.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytosolic acyl coenzyme A thioester hydrolase (SINGLE PROTEIN), Homo sapiens
UniProt: O00154
Assay: Binding affinity to human ACOT7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 167.74 nM (pChEMBL 6.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Peroxisomal acyl-coenzyme A oxidase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15067
Assay: Binding affinity to human ACOX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2688.81 nM (pChEMBL 5.570000171661377)
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: Peroxisomal acyl-coenzyme A oxidase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15067
Assay: Binding affinity to human ACOX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2688.81 nM (pChEMBL 5.570000171661377)
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: Peroxisomal acyl-coenzyme A oxidase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O15254
Assay: Binding affinity to human ACOX3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4733.31 nM (pChEMBL 5.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Peroxisomal acyl-coenzyme A oxidase 3 (SINGLE PROTEIN), Homo sapiens
UniProt: O15254
Assay: Binding affinity to human ACOX3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7129.14 nM (pChEMBL 5.150000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Low molecular weight phosphotyrosine protein phosphatase (SINGLE PROTEIN), Homo sapiens
UniProt: P24666
Assay: Binding affinity to human ACP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 39.49 nM (pChEMBL 7.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Low molecular weight phosphotyrosine protein phosphatase (SINGLE PROTEIN), Homo sapiens
UniProt: P24666
Assay: Binding affinity to human ACP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 39.49 nM (pChEMBL 7.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Long-chain-fatty-acid--CoA ligase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P33121
Assay: Binding affinity to human ACSL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6.58 nM (pChEMBL 8.180000305175781)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Long-chain-fatty-acid--CoA ligase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P33121
Assay: Binding affinity to human ACSL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.58 nM (pChEMBL 8.180000305175781)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Fatty acid CoA ligase Acsl3 (SINGLE PROTEIN), Homo sapiens
UniProt: O95573
Assay: Binding affinity to human ACSL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 37212.13 nM (pChEMBL 4.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Fatty acid CoA ligase Acsl3 (SINGLE PROTEIN), Homo sapiens
UniProt: O95573
Assay: Binding affinity to human ACSL3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 37212.13 nM (pChEMBL 4.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Long-chain-fatty-acid--CoA ligase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O60488
Assay: Binding affinity to human ACSL4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10817.5 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: Long-chain-fatty-acid--CoA ligase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: O60488
Assay: Binding affinity to human ACSL4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10817.5 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: Actin-like protein 6A (SINGLE PROTEIN), Homo sapiens
UniProt: O96019
Assay: Binding affinity to human ACTL6A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12634.21 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: Actin-like protein 6A (SINGLE PROTEIN), Homo sapiens
UniProt: O96019
Assay: Binding affinity to human ACTL6A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12634.21 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: Alpha-actinin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P12814
Assay: Binding affinity to human ACTN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 177.41 nM (pChEMBL 6.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Alpha-actinin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P12814
Assay: Binding affinity to human ACTN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 177.41 nM (pChEMBL 6.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Alpha-actinin-4 (SINGLE PROTEIN), Homo sapiens
UniProt: O43707
Assay: Binding affinity to human ACTN4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 120.33 nM (pChEMBL 6.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, 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-actinin-4 (SINGLE PROTEIN), Homo sapiens
UniProt: O43707
Assay: Binding affinity to human ACTN4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 120.33 nM (pChEMBL 6.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, 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 (SINGLE PROTEIN), Homo sapiens
UniProt: P61160
Assay: Binding affinity to human ACTR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16986.8 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: Actin-related protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P61160
Assay: Binding affinity to human ACTR2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16986.8 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: Actin-related protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P61158
Assay: Binding affinity to human ACTR3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 523.35 nM (pChEMBL 6.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Actin-related protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P61158
Assay: Binding affinity to human ACTR3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 523.35 nM (pChEMBL 6.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Activin receptor type-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q04771
Assay: Binding affinity to human ACVR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 33983179.01 nM (pChEMBL 1.4700000286102295)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Activin receptor type-1B (SINGLE PROTEIN), Homo sapiens
UniProt: P36896
Assay: Binding affinity to human ACVR1B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 25.14 nM (pChEMBL 7.599999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Activin receptor type-1B (SINGLE PROTEIN), Homo sapiens
UniProt: P36896
Assay: Binding affinity to human ACVR1B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 59.12 nM (pChEMBL 7.230000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Activin receptor type-2B (SINGLE PROTEIN), Homo sapiens
UniProt: Q13705
Assay: Binding affinity to human ACVR2B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.019 nM (pChEMBL 8.520000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Activin receptor type-2B (SINGLE PROTEIN), Homo sapiens
UniProt: Q13705
Assay: Binding affinity to human ACVR2B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.528 nM (pChEMBL 8.34000015258789)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Adenosine deaminase (SINGLE PROTEIN), Homo sapiens
UniProt: P00813
Assay: Binding affinity to human ADA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 246.23 nM (pChEMBL 6.610000133514404)
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: Adenosine deaminase (SINGLE PROTEIN), Homo sapiens
UniProt: P00813
Assay: Binding affinity to human ADA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 246.23 nM (pChEMBL 6.610000133514404)
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: Double-stranded RNA-specific adenosine deaminase (SINGLE PROTEIN), Homo sapiens
UniProt: P55265
Assay: Binding affinity to human ADAR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7.701 nM (pChEMBL 8.109999656677246)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Double-stranded RNA-specific adenosine deaminase (SINGLE PROTEIN), Homo sapiens
UniProt: P55265
Assay: Binding affinity to human ADAR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7.701 nM (pChEMBL 8.109999656677246)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AarF domain-containing protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86TW2
Assay: Binding affinity to human ADCK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 58.09 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: AarF domain-containing protein kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q86TW2
Assay: Binding affinity to human ADCK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 93.29 nM (pChEMBL 7.03000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Atypical kinase COQ8A, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NI60
Assay: Binding affinity to human ADCK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7638.93 nM (pChEMBL 5.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Atypical kinase COQ8A, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NI60
Assay: Binding affinity to human ADCK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8575.88 nM (pChEMBL 5.070000171661377)
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: Alcohol dehydrogenase class-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P11766
Assay: Binding affinity to human ADH5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4888.56 nM (pChEMBL 5.309999942779541)
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: Alcohol dehydrogenase class-3 (SINGLE PROTEIN), Homo sapiens
UniProt: P11766
Assay: Binding affinity to human ADH5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4888.56 nM (pChEMBL 5.309999942779541)
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: Adenosine kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P55263
Assay: Binding affinity to human ADK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 14.5 nM (pChEMBL 7.840000152587891)
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: Adenosine kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P55263
Assay: Binding affinity to human ADK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14.5 nM (pChEMBL 7.840000152587891)
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: Beta-adrenergic receptor kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25098
Assay: Binding affinity to human ADRBK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 368.61 nM (pChEMBL 6.429999828338623)
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: Beta-adrenergic receptor kinase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P25098
Assay: Binding affinity to human ADRBK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 368.61 nM (pChEMBL 6.429999828338623)
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: Proteasomal ubiquitin receptor ADRM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16186
Assay: Binding affinity to human ADRM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13.47 nM (pChEMBL 7.869999885559082)
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: Proteasomal ubiquitin receptor ADRM1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16186
Assay: Binding affinity to human ADRM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13.47 nM (pChEMBL 7.869999885559082)
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: Adenylosuccinate lyase (SINGLE PROTEIN), Homo sapiens
UniProt: P30566
Assay: Binding affinity to human ADSL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1443488.81 nM (pChEMBL 2.8399999141693115)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Adenylosuccinate synthetase isozyme 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30520
Assay: Binding affinity to human ADSS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.991 nM (pChEMBL 9)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Adenylosuccinate synthetase isozyme 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30520
Assay: Binding affinity to human ADSS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.991 nM (pChEMBL 9)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AF4/FMR2 family member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51825
Assay: Binding affinity to human AFF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1300.58 nM (pChEMBL 5.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AF4/FMR2 family member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P51825
Assay: Binding affinity to human AFF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1403.61 nM (pChEMBL 5.849999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AF4/FMR2 family member 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHB7
Assay: Binding affinity to human AFF4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12.24 nM (pChEMBL 7.909999847412109)
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: AF4/FMR2 family member 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHB7
Assay: Binding affinity to human AFF4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12.24 nM (pChEMBL 7.909999847412109)
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: Mitochondrial inner membrane m-AAA protease component AFG3L2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4W6
Assay: Binding affinity to human AFG3L2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 597.6 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: Mitochondrial inner membrane m-AAA protease component AFG3L2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4W6
Assay: Binding affinity to human AFG3L2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 597.6 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: Acylglycerol kinase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q53H12
Assay: Binding affinity to human AGK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6965.87 nM (pChEMBL 5.159999847412109)
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: Acylglycerol kinase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q53H12
Assay: Binding affinity to human AGK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6965.87 nM (pChEMBL 5.159999847412109)
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: 1-acyl-sn-glycerol-3-phosphate acyltransferase beta (SINGLE PROTEIN), Homo sapiens
UniProt: O15120
Assay: Binding affinity to human AGPAT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1441.04 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: 1-acyl-sn-glycerol-3-phosphate acyltransferase beta (SINGLE PROTEIN), Homo sapiens
UniProt: O15120
Assay: Binding affinity to human AGPAT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1441.04 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: 1-acyl-sn-glycerol-3-phosphate acyltransferase epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NUQ2
Assay: Binding affinity to human AGPAT5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7626474.62 nM (pChEMBL 2.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Alkyldihydroxyacetonephosphate synthase, peroxisomal (SINGLE PROTEIN), Homo sapiens
UniProt: O00116
Assay: Binding affinity to human AGPS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 485.72 nM (pChEMBL 6.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Alkyldihydroxyacetonephosphate synthase, peroxisomal (SINGLE PROTEIN), Homo sapiens
UniProt: O00116
Assay: Binding affinity to human AGPS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 485.72 nM (pChEMBL 6.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Adenosylhomocysteinase (SINGLE PROTEIN), Homo sapiens
UniProt: P23526
Assay: Binding affinity to human AHCY incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 53.28 nM (pChEMBL 7.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Adenosylhomocysteinase (SINGLE PROTEIN), Homo sapiens
UniProt: P23526
Assay: Binding affinity to human AHCY incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53.28 nM (pChEMBL 7.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Neuroblast differentiation-associated protein AHNAK (SINGLE PROTEIN), Homo sapiens
UniProt: Q09666
Assay: Binding affinity to human AHNAK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 109.94 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: Neuroblast differentiation-associated protein AHNAK (SINGLE PROTEIN), Homo sapiens
UniProt: Q09666
Assay: Binding affinity to human AHNAK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 109.94 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: Apoptosis-inducing factor 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O95831
Assay: Binding affinity to human AIFM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 181.6 nM (pChEMBL 6.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Apoptosis-inducing factor 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O95831
Assay: Binding affinity to human AIFM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 181.6 nM (pChEMBL 6.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ferroptosis suppressor protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRQ8
Assay: Binding affinity to human AIFM2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.582 nM (pChEMBL 8.59000015258789)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ferroptosis suppressor protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRQ8
Assay: Binding affinity to human AIFM2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.582 nM (pChEMBL 8.59000015258789)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aminoacyl tRNA synthase complex-interacting multifunctional protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12904
Assay: Binding affinity to human AIMP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 57.38 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: Aminoacyl tRNA synthase complex-interacting multifunctional protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12904
Assay: Binding affinity to human AIMP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 57.38 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: Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13155
Assay: Binding affinity to human AIMP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 49.49 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: Aminoacyl tRNA synthase complex-interacting multifunctional protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13155
Assay: Binding affinity to human AIMP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 49.49 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: AH receptor-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: O00170
Assay: Binding affinity to human AIP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 43.75 nM (pChEMBL 7.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: AH receptor-interacting protein (SINGLE PROTEIN), Homo sapiens
UniProt: O00170
Assay: Binding affinity to human AIP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.67 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: Adenylate kinase isoenzyme 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00568
Assay: Binding affinity to human AK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2434403.8 nM (pChEMBL 2.609999895095825)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Adenylate kinase 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P54819
Assay: Binding affinity to human AK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56.75 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: Adenylate kinase 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P54819
Assay: Binding affinity to human AK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 56.75 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: A-kinase anchor protein 8-like (SINGLE PROTEIN), Homo sapiens
UniProt: Q9ULX6
Assay: Binding affinity to human AKAP8L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1589.74 nM (pChEMBL 5.800000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: A-kinase anchor protein 8-like (SINGLE PROTEIN), Homo sapiens
UniProt: Q9ULX6
Assay: Binding affinity to human AKAP8L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1729.46 nM (pChEMBL 5.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aldo-keto reductase family 1 member B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P15121
Assay: Binding affinity to human AKR1B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 39.68 nM (pChEMBL 7.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aldo-keto reductase family 1 member B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P15121
Assay: Binding affinity to human AKR1B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 39.68 nM (pChEMBL 7.400000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aldo-keto reductase family 1 member C1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q04828
Assay: Binding affinity to human AKR1C1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.15 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: Aldo-keto reductase family 1 member C1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q04828
Assay: Binding affinity to human AKR1C1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.15 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: Aldo-keto reductase family 1 member C2 (SINGLE PROTEIN), Homo sapiens
UniProt: P52895
Assay: Binding affinity to human AKR1C2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 552.17 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aldo-keto reductase family 1 member C2 (SINGLE PROTEIN), Homo sapiens
UniProt: P52895
Assay: Binding affinity to human AKR1C2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 552.17 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aflatoxin B1 aldehyde reductase member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43488
Assay: Binding affinity to human AKR7A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 152.36 nM (pChEMBL 6.820000171661377)
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: Aflatoxin B1 aldehyde reductase member 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43488
Assay: Binding affinity to human AKR7A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 192.6 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: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Binding affinity to human AKT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 194.22 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: RAC-alpha serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31749
Assay: Binding affinity to human AKT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 215.94 nM (pChEMBL 6.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Binding affinity to human AKT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6218.52 nM (pChEMBL 5.210000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: RAC-beta serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P31751
Assay: Binding affinity to human AKT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7258.24 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: RAC-gamma serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y243
Assay: Binding affinity to human AKT3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2835.08 nM (pChEMBL 5.550000190734863)
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: RAC-gamma serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y243
Assay: Binding affinity to human AKT3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3136.7 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: Aldehyde dehydrogenase family 16 member A1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IZ83
Assay: Binding affinity to human ALDH16A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 290.75 nM (pChEMBL 6.539999961853027)
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: Aldehyde dehydrogenase family 16 member A1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IZ83
Assay: Binding affinity to human ALDH16A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 290.75 nM (pChEMBL 6.539999961853027)
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: Delta-1-pyrroline-5-carboxylate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P54886
Assay: Binding affinity to human ALDH18A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 41738.88 nM (pChEMBL 4.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Delta-1-pyrroline-5-carboxylate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P54886
Assay: Binding affinity to human ALDH18A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 41738.88 nM (pChEMBL 4.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: Binding affinity to human ALDH1A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 68237.99 nM (pChEMBL 4.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Aldehyde dehydrogenase 1A1 (SINGLE PROTEIN), Homo sapiens
UniProt: P00352
Assay: Binding affinity to human ALDH1A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 68237.99 nM (pChEMBL 4.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32