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: Condensin complex subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15021
Assay: Binding affinity to human NCAPD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 28.75 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: Condensin complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15003
Assay: Binding affinity to human NCAPH incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 180.42 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: Condensin complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15003
Assay: Binding affinity to human NCAPH incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 201.68 nM (pChEMBL 6.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nuclear cap-binding protein subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q09161
Assay: Binding affinity to human NCBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1778.93 nM (pChEMBL 5.75)
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: Nuclear cap-binding protein subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q09161
Assay: Binding affinity to human NCBP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1778.93 nM (pChEMBL 5.75)
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: Neurochondrin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBB6
Assay: Binding affinity to human NCDN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27632.24 nM (pChEMBL 4.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Neurochondrin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBB6
Assay: Binding affinity to human NCDN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27632.24 nM (pChEMBL 4.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nck-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2A7
Assay: Binding affinity to human NCKAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1545.94 nM (pChEMBL 5.809999942779541)
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: Nck-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2A7
Assay: Binding affinity to human NCKAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1545.94 nM (pChEMBL 5.809999942779541)
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: Nck-associated protein 1-like (SINGLE PROTEIN), Homo sapiens
UniProt: P55160
Assay: Binding affinity to human NCKAP1L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1532011.38 nM (pChEMBL 2.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nucleolin (SINGLE PROTEIN), Homo sapiens
UniProt: P19338
Assay: Binding affinity to human NCL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 30287.89 nM (pChEMBL 4.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nucleolin (SINGLE PROTEIN), Homo sapiens
UniProt: P19338
Assay: Binding affinity to human NCL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30287.89 nM (pChEMBL 4.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: BOS complex subunit NCLN (SINGLE PROTEIN), Homo sapiens
UniProt: Q969V3
Assay: Binding affinity to human NCLN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.81 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: BOS complex subunit NCLN (SINGLE PROTEIN), Homo sapiens
UniProt: Q969V3
Assay: Binding affinity to human NCLN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.81 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: Nicastrin (SINGLE PROTEIN), Homo sapiens
UniProt: Q92542
Assay: Binding affinity to human NCSTN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 486.63 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: Nicastrin (SINGLE PROTEIN), Homo sapiens
UniProt: Q92542
Assay: Binding affinity to human NCSTN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 525.8 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: Nucleoporin NDC1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BTX1
Assay: Binding affinity to human NDC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6187133.04 nM (pChEMBL 2.2100000381469727)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH-ubiquinone oxidoreductase 42 kDa subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O95299
Assay: Binding affinity to human NDUFA10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11.18 nM (pChEMBL 7.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH-ubiquinone oxidoreductase 42 kDa subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O95299
Assay: Binding affinity to human NDUFA10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11.18 nM (pChEMBL 7.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P0J0
Assay: Binding affinity to human NDUFA13 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.854 nM (pChEMBL 8.229999542236328)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P0J0
Assay: Binding affinity to human NDUFA13 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.854 nM (pChEMBL 8.229999542236328)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome c oxidase subunit NDUFA4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00483
Assay: Binding affinity to human NDUFA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 70252.41 nM (pChEMBL 4.150000095367432)
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: Cytochrome c oxidase subunit NDUFA4 (SINGLE PROTEIN), Homo sapiens
UniProt: O00483
Assay: Binding affinity to human NDUFA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 70252.41 nM (pChEMBL 4.150000095367432)
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: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16718
Assay: Binding affinity to human NDUFA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 246.36 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: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16718
Assay: Binding affinity to human NDUFA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 252.54 nM (pChEMBL 6.599999904632568)
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: Acyl carrier protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O14561
Assay: Binding affinity to human NDUFAB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2721.75 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: Acyl carrier protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O14561
Assay: Binding affinity to human NDUFAB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2721.75 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: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N183
Assay: Binding affinity to human NDUFAF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12277.83 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: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N183
Assay: Binding affinity to human NDUFAF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12277.83 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: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P032
Assay: Binding affinity to human NDUFAF4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1823.45 nM (pChEMBL 5.739999771118164)
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: NADH dehydrogenase [ubiquinone] 1 alpha subcomplex assembly factor 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P032
Assay: Binding affinity to human NDUFAF4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1823.45 nM (pChEMBL 5.739999771118164)
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: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10 (SINGLE PROTEIN), Homo sapiens
UniProt: O96000
Assay: Binding affinity to human NDUFB10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 99.87 nM (pChEMBL 7)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 10 (SINGLE PROTEIN), Homo sapiens
UniProt: O96000
Assay: Binding affinity to human NDUFB10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 99.87 nM (pChEMBL 7)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH-ubiquinone oxidoreductase SGDH subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O43674
Assay: Binding affinity to human NDUFB5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18484.59 nM (pChEMBL 4.730000019073486)
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: NADH-ubiquinone oxidoreductase SGDH subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O43674
Assay: Binding affinity to human NDUFB5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18484.59 nM (pChEMBL 4.730000019073486)
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: NADH-ubiquinone oxidoreductase B17 subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O95139
Assay: Binding affinity to human NDUFB6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3489.69 nM (pChEMBL 5.460000038146973)
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: NADH-ubiquinone oxidoreductase B17 subunit (SINGLE PROTEIN), Homo sapiens
UniProt: O95139
Assay: Binding affinity to human NDUFB6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3489.69 nM (pChEMBL 5.460000038146973)
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: NADH-ubiquinone oxidoreductase B18 subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P17568
Assay: Binding affinity to human NDUFB7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7123.78 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: NADH-ubiquinone oxidoreductase B18 subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P17568
Assay: Binding affinity to human NDUFB7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7410.75 nM (pChEMBL 5.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O95169
Assay: Binding affinity to human NDUFB8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 738.22 nM (pChEMBL 6.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 8, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O95169
Assay: Binding affinity to human NDUFB8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 738.22 nM (pChEMBL 6.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M9
Assay: Binding affinity to human NDUFB9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 244.33 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: NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6M9
Assay: Binding affinity to human NDUFB9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 244.33 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: NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P28331
Assay: Binding affinity to human NDUFS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 959.1 nM (pChEMBL 6.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH-ubiquinone oxidoreductase 75 kDa subunit, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P28331
Assay: Binding affinity to human NDUFS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 959.1 nM (pChEMBL 6.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75306
Assay: Binding affinity to human NDUFS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1236.17 nM (pChEMBL 5.909999847412109)
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: NADH dehydrogenase [ubiquinone] iron-sulfur protein 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75306
Assay: Binding affinity to human NDUFS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1236.17 nM (pChEMBL 5.909999847412109)
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: NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75489
Assay: Binding affinity to human NDUFS3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.003 nM (pChEMBL 8.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] iron-sulfur protein 3, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75489
Assay: Binding affinity to human NDUFS3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.003 nM (pChEMBL 8.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75380
Assay: Binding affinity to human NDUFS6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3154.44 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: NADH dehydrogenase [ubiquinone] iron-sulfur protein 6, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75380
Assay: Binding affinity to human NDUFS6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3154.44 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: NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75251
Assay: Binding affinity to human NDUFS7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1813.97 nM (pChEMBL 5.739999771118164)
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: NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75251
Assay: Binding affinity to human NDUFS7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1813.97 nM (pChEMBL 5.739999771118164)
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: NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P49821
Assay: Binding affinity to human NDUFV1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 25217.03 nM (pChEMBL 4.599999904632568)
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: NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P49821
Assay: Binding affinity to human NDUFV1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 25217.03 nM (pChEMBL 4.599999904632568)
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: Ubiquitin-like protein NEDD8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15843
Assay: Binding affinity to human NEDD8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27968.26 nM (pChEMBL 4.550000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ubiquitin-like protein NEDD8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15843
Assay: Binding affinity to human NEDD8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 40629.46 nM (pChEMBL 4.389999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Neurofilament medium polypeptide (SINGLE PROTEIN), Homo sapiens
UniProt: P07197
Assay: Binding affinity to human NEFM incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 452.59 nM (pChEMBL 6.340000152587891)
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: Neurofilament medium polypeptide (SINGLE PROTEIN), Homo sapiens
UniProt: P07197
Assay: Binding affinity to human NEFM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 841.7 nM (pChEMBL 6.079999923706055)
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: Serine/threonine-protein kinase Nek1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96PY6
Assay: Binding affinity to human NEK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.753 nM (pChEMBL 9.119999885559082)
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: Serine/threonine-protein kinase Nek1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96PY6
Assay: Binding affinity to human NEK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.912 nM (pChEMBL 9.039999961853027)
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: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: Binding affinity to human NEK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 225.06 nM (pChEMBL 6.650000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51955
Assay: Binding affinity to human NEK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 324.43 nM (pChEMBL 6.489999771118164)
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: Serine/threonine-protein kinase Nek3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51956
Assay: Binding affinity to human NEK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9120.44 nM (pChEMBL 5.039999961853027)
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: Serine/threonine-protein kinase Nek3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51956
Assay: Binding affinity to human NEK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10670.67 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: Serine/threonine-protein kinase Nek7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDX7
Assay: Binding affinity to human NEK7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 156.41 nM (pChEMBL 6.809999942779541)
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: Serine/threonine-protein kinase Nek7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TDX7
Assay: Binding affinity to human NEK7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 202.88 nM (pChEMBL 6.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TD19
Assay: Binding affinity to human NEK9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 22.91 nM (pChEMBL 7.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase Nek9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TD19
Assay: Binding affinity to human NEK9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 51.94 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: Nestin (SINGLE PROTEIN), Homo sapiens
UniProt: P48681
Assay: Binding affinity to human NES incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 81.5 nM (pChEMBL 7.090000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nestin (SINGLE PROTEIN), Homo sapiens
UniProt: P48681
Assay: Binding affinity to human NES incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1302.94 nM (pChEMBL 5.880000114440918)
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: NF-X1-type zinc finger protein NFXL1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6ZNB6
Assay: Binding affinity to human NFXL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3185.07 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: NF-X1-type zinc finger protein NFXL1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6ZNB6
Assay: Binding affinity to human NFXL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3185.07 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: NHP2-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P55769
Assay: Binding affinity to human NHP2L1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3499.41 nM (pChEMBL 5.460000038146973)
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: NHP2-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P55769
Assay: Binding affinity to human NHP2L1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3499.41 nM (pChEMBL 5.460000038146973)
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: Protein NipSnap homolog 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BPW8
Assay: Binding affinity to human NIPSNAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 856.57 nM (pChEMBL 6.070000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein NipSnap homolog 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BPW8
Assay: Binding affinity to human NIPSNAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 856.57 nM (pChEMBL 6.070000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein NipSnap homolog 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UFN0
Assay: Binding affinity to human NIPSNAP3A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2176.67 nM (pChEMBL 5.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein NipSnap homolog 3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UFN0
Assay: Binding affinity to human NIPSNAP3A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2176.67 nM (pChEMBL 5.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Omega-amidase NIT2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQR4
Assay: Binding affinity to human NIT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.637 nM (pChEMBL 8.579999923706055)
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: Omega-amidase NIT2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQR4
Assay: Binding affinity to human NIT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.756 nM (pChEMBL 8.5600004196167)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, 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 NLK (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBE8
Assay: Binding affinity to human NLK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16.07 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: Serine/threonine-protein kinase NLK (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBE8
Assay: Binding affinity to human NLK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 24.17 nM (pChEMBL 7.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Neurolysin, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BYT8
Assay: Binding affinity to human NLN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 107.23 nM (pChEMBL 6.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Neurolysin, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BYT8
Assay: Binding affinity to human NLN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 163.85 nM (pChEMBL 6.789999961853027)
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: Nucleoside diphosphate kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: P15531
Assay: Binding affinity to human NME1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2019.4 nM (pChEMBL 5.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nucleoside diphosphate kinase A (SINGLE PROTEIN), Homo sapiens
UniProt: P15531
Assay: Binding affinity to human NME1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2019.4 nM (pChEMBL 5.699999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Glycylpeptide N-tetradecanoyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30419
Assay: Binding affinity to human NMT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 79.02 nM (pChEMBL 7.099999904632568)
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: Glycylpeptide N-tetradecanoyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30419
Assay: Binding affinity to human NMT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 79.02 nM (pChEMBL 7.099999904632568)
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: NAD(P) transhydrogenase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q13423
Assay: Binding affinity to human NNT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.676 nM (pChEMBL 8.25)
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: NAD(P) transhydrogenase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q13423
Assay: Binding affinity to human NNT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.676 nM (pChEMBL 8.25)
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: Nucleolar complex protein 2 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y3T9
Assay: Binding affinity to human NOC2L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 627425.53 nM (pChEMBL 3.200000047683716)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nucleolar and coiled-body phosphoprotein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14978
Assay: Binding affinity to human NOLC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 177.58 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: Nucleolar and coiled-body phosphoprotein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14978
Assay: Binding affinity to human NOLC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 177.58 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: Non-POU domain-containing octamer-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q15233
Assay: Binding affinity to human NONO incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 51.73 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: Non-POU domain-containing octamer-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q15233
Assay: Binding affinity to human NONO incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 51.73 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: H/ACA ribonucleoprotein complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NPE3
Assay: Binding affinity to human NOP10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 263179 nM (pChEMBL 3.5799999237060547)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 28S rRNA (cytosine(4447)-C(5))-methyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: P46087
Assay: Binding affinity to human NOP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 366.34 nM (pChEMBL 6.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 28S rRNA (cytosine(4447)-C(5))-methyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: P46087
Assay: Binding affinity to human NOP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 366.34 nM (pChEMBL 6.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Nucleolar protein 56 (SINGLE PROTEIN), Homo sapiens
UniProt: O00567
Assay: Binding affinity to human NOP56 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4001.95 nM (pChEMBL 5.400000095367432)
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: Nucleolar protein 56 (SINGLE PROTEIN), Homo sapiens
UniProt: O00567
Assay: Binding affinity to human NOP56 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4001.95 nM (pChEMBL 5.400000095367432)
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: Puromycin-sensitive aminopeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: P55786
Assay: Binding affinity to human NPEPPS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 90.69 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: Puromycin-sensitive aminopeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: P55786
Assay: Binding affinity to human NPEPPS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 90.69 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: Nucleophosmin (SINGLE PROTEIN), Homo sapiens
UniProt: P06748
Assay: Binding affinity to human NPM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 104452.06 nM (pChEMBL 3.9800000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: NAD(P)H dehydrogenase [quinone] 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P15559
Assay: Binding affinity to human NQO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16953.67 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: NAD(P)H dehydrogenase [quinone] 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P15559
Assay: Binding affinity to human NQO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16953.67 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: Ribosyldihydronicotinamide dehydrogenase [quinone] (SINGLE PROTEIN), Homo sapiens
UniProt: P16083
Assay: Binding affinity to human NQO2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4120.66 nM (pChEMBL 5.380000114440918)
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: Ribosyldihydronicotinamide dehydrogenase [quinone] (SINGLE PROTEIN), Homo sapiens
UniProt: P16083
Assay: Binding affinity to human NQO2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4120.66 nM (pChEMBL 5.380000114440918)
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: Nardilysin (SINGLE PROTEIN), Homo sapiens
UniProt: O43847
Assay: Binding affinity to human NRD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3858.3 nM (pChEMBL 5.409999847412109)
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: Nardilysin (SINGLE PROTEIN), Homo sapiens
UniProt: O43847
Assay: Binding affinity to human NRD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4578.73 nM (pChEMBL 5.340000152587891)
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: Vesicle-fusing ATPase (SINGLE PROTEIN), Homo sapiens
UniProt: P46459
Assay: Binding affinity to human NSF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3510.72 nM (pChEMBL 5.460000038146973)
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: Vesicle-fusing ATPase (SINGLE PROTEIN), Homo sapiens
UniProt: P46459
Assay: Binding affinity to human NSF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3510.72 nM (pChEMBL 5.460000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32