lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DHX29 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z478
Assay: Binding affinity to human DHX29 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15277.29 nM (pChEMBL 4.820000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP-dependent RNA helicase DHX29 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z478
Assay: Binding affinity to human DHX29 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15277.29 nM (pChEMBL 4.820000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: DnaJ homolog subfamily C member 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O75165
Assay: Binding affinity to human DNAJC13 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10347.82 nM (pChEMBL 4.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: DnaJ homolog subfamily C member 13 (SINGLE PROTEIN), Homo sapiens
UniProt: O75165
Assay: Binding affinity to human DNAJC13 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10347.82 nM (pChEMBL 4.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: DnaJ homolog subfamily C member 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WXX5
Assay: Binding affinity to human DNAJC9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8796.35 nM (pChEMBL 5.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: DnaJ homolog subfamily C member 9 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WXX5
Assay: Binding affinity to human DNAJC9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8796.35 nM (pChEMBL 5.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Desmoglein-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02413
Assay: Binding affinity to human DSG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 47533.91 nM (pChEMBL 4.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Desmoglein-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q02413
Assay: Binding affinity to human DSG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 47533.91 nM (pChEMBL 4.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Translation initiation factor eIF2B subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q13144
Assay: Binding affinity to human EIF2B5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5145.31 nM (pChEMBL 5.289999961853027)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Translation initiation factor eIF2B subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: Q13144
Assay: Binding affinity to human EIF2B5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5145.31 nM (pChEMBL 5.289999961853027)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Mitotic deacetylase-associated SANT domain protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q6PJG2
Assay: Binding affinity to human ELMSAN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12781.08 nM (pChEMBL 4.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Mitotic deacetylase-associated SANT domain protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q6PJG2
Assay: Binding affinity to human ELMSAN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12781.08 nM (pChEMBL 4.889999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ER membrane protein complex subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N766
Assay: Binding affinity to human EMC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 288.35 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ER membrane protein complex subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N766
Assay: Binding affinity to human EMC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 295.2 nM (pChEMBL 6.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Echinoderm microtubule-associated protein-like 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HC35
Assay: Binding affinity to human EML4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 760.65 nM (pChEMBL 6.119999885559082)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Echinoderm microtubule-associated protein-like 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HC35
Assay: Binding affinity to human EML4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 760.65 nM (pChEMBL 6.119999885559082)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: FAD synthase (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NFF5
Assay: Binding affinity to human FLAD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 997.68 nM (pChEMBL 6)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: FAD synthase (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NFF5
Assay: Binding affinity to human FLAD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 997.68 nM (pChEMBL 6)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Forkhead box protein K1 (SINGLE PROTEIN), Homo sapiens
UniProt: P85037
Assay: Binding affinity to human FOXK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.587 nM (pChEMBL 8.449999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Forkhead box protein K1 (SINGLE PROTEIN), Homo sapiens
UniProt: P85037
Assay: Binding affinity to human FOXK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.587 nM (pChEMBL 8.449999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Elongation factor G, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RP9
Assay: Binding affinity to human GFM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 92.81 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Elongation factor G, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RP9
Assay: Binding affinity to human GFM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 136.19 nM (pChEMBL 6.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Glutathione S-transferase kappa 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2Q3
Assay: Binding affinity to human GSTK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6958.4 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Glutathione S-transferase kappa 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2Q3
Assay: Binding affinity to human GSTK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6958.4 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: General transcription factor IIF subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P13984
Assay: Binding affinity to human GTF2F2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7153.99 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: General transcription factor IIF subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P13984
Assay: Binding affinity to human GTF2F2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7688.75 nM (pChEMBL 5.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6Y1H2
Assay: Binding affinity to human HACD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23668.34 nM (pChEMBL 4.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Very-long-chain (3R)-3-hydroxyacyl-CoA dehydratase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6Y1H2
Assay: Binding affinity to human HACD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 23668.34 nM (pChEMBL 4.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Probable helicase with zinc finger domain (SINGLE PROTEIN), Homo sapiens
UniProt: P42694
Assay: Binding affinity to human HELZ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.391 nM (pChEMBL 8.029999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Probable helicase with zinc finger domain (SINGLE PROTEIN), Homo sapiens
UniProt: P42694
Assay: Binding affinity to human HELZ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.391 nM (pChEMBL 8.029999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone H1.3 (SINGLE PROTEIN), Homo sapiens
UniProt: P16402
Assay: Binding affinity to human HIST1H1D incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10362.34 nM (pChEMBL 4.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Histone H1.3 (SINGLE PROTEIN), Homo sapiens
UniProt: P16402
Assay: Binding affinity to human HIST1H1D incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10362.34 nM (pChEMBL 4.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: HLA class I histocompatibility antigen, B alpha chain (SINGLE PROTEIN), Homo sapiens
UniProt: P01889
Assay: Binding affinity to human HLA-B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.821 nM (pChEMBL 8.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: HLA class I histocompatibility antigen, B alpha chain (SINGLE PROTEIN), Homo sapiens
UniProt: P01889
Assay: Binding affinity to human HLA-B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.821 nM (pChEMBL 8.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein D-like (SINGLE PROTEIN), Homo sapiens
UniProt: O14979
Assay: Binding affinity to human HNRNPDL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 68.54 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein D-like (SINGLE PROTEIN), Homo sapiens
UniProt: O14979
Assay: Binding affinity to human HNRNPDL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 68.54 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14643
Assay: Binding affinity to human ITPR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3279.65 nM (pChEMBL 5.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14643
Assay: Binding affinity to human ITPR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3434.66 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Binding affinity to human KDM1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.373 nM (pChEMBL 9.430000305175781)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lysine-specific histone demethylase 1A (SINGLE PROTEIN), Homo sapiens
UniProt: O60341
Assay: Binding affinity to human KDM1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.417 nM (pChEMBL 9.380000114440918)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: WASH complex subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q2M389
Assay: Binding affinity to human KIAA1033 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18.89 nM (pChEMBL 7.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: WASH complex subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q2M389
Assay: Binding affinity to human KIAA1033 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 22.93 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Kinesin-like protein KIF2C (SINGLE PROTEIN), Homo sapiens
UniProt: Q99661
Assay: Binding affinity to human KIF2C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20.01 nM (pChEMBL 7.699999809265137)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Kinesin-like protein KIF2C (SINGLE PROTEIN), Homo sapiens
UniProt: Q99661
Assay: Binding affinity to human KIF2C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 20.01 nM (pChEMBL 7.699999809265137)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Kelch-like protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WZ60
Assay: Binding affinity to human KLHL6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 42.03 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Kelch-like protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WZ60
Assay: Binding affinity to human KLHL6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 56.74 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ragulator complex protein LAMTOR3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHA4
Assay: Binding affinity to human LAMTOR3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 816.11 nM (pChEMBL 6.090000152587891)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ragulator complex protein LAMTOR3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UHA4
Assay: Binding affinity to human LAMTOR3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 816.11 nM (pChEMBL 6.090000152587891)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: La-related protein 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q4G0J3
Assay: Binding affinity to human LARP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13736.17 nM (pChEMBL 4.860000133514404)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: La-related protein 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q4G0J3
Assay: Binding affinity to human LARP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13736.17 nM (pChEMBL 4.860000133514404)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase LMTK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IWU2
Assay: Binding affinity to human LMTK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2394.79 nM (pChEMBL 5.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase LMTK2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IWU2
Assay: Binding affinity to human LMTK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2394.79 nM (pChEMBL 5.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lanosterol synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P48449
Assay: Binding affinity to human LSS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 111766.66 nM (pChEMBL 3.950000047683716)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cell growth-regulating nucleolar protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX58
Assay: Binding affinity to human LYAR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4372.76 nM (pChEMBL 5.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cell growth-regulating nucleolar protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX58
Assay: Binding affinity to human LYAR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4372.76 nM (pChEMBL 5.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lysosomal alpha-mannosidase (SINGLE PROTEIN), Homo sapiens
UniProt: O00754
Assay: Binding affinity to human MAN2B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 83009.38 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Lysosomal alpha-mannosidase (SINGLE PROTEIN), Homo sapiens
UniProt: O00754
Assay: Binding affinity to human MAN2B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 83009.38 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Membrane-bound glycerophospholipid O-acyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6ZNC8
Assay: Binding affinity to human MBOAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 816.62 nM (pChEMBL 6.090000152587891)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Membrane-bound glycerophospholipid O-acyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6ZNC8
Assay: Binding affinity to human MBOAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 900.09 nM (pChEMBL 6.050000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Microfibrillar-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P55081
Assay: Binding affinity to human MFAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 55172.24 nM (pChEMBL 4.260000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Microfibrillar-associated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P55081
Assay: Binding affinity to human MFAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55172.24 nM (pChEMBL 4.260000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Large ribosomal subunit protein bL21m (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z2W9
Assay: Binding affinity to human MRPL21 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5948.81 nM (pChEMBL 5.230000019073486)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Large ribosomal subunit protein bL21m (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z2W9
Assay: Binding affinity to human MRPL21 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5948.81 nM (pChEMBL 5.230000019073486)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Small ribosomal subunit protein mS40 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y676
Assay: Binding affinity to human MRPS18B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15605.06 nM (pChEMBL 4.809999942779541)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Small ribosomal subunit protein mS40 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y676
Assay: Binding affinity to human MRPS18B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15605.06 nM (pChEMBL 4.809999942779541)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Small ribosomal subunit protein uS2m (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y399
Assay: Binding affinity to human MRPS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4881.77 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Small ribosomal subunit protein uS2m (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y399
Assay: Binding affinity to human MRPS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4881.77 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Small ribosomal subunit protein bS1m (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2Q9
Assay: Binding affinity to human MRPS28 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 271.23 nM (pChEMBL 6.570000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Small ribosomal subunit protein bS1m (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2Q9
Assay: Binding affinity to human MRPS28 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 271.23 nM (pChEMBL 6.570000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Small ribosomal subunit protein mS34 (SINGLE PROTEIN), Homo sapiens
UniProt: P82930
Assay: Binding affinity to human MRPS34 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27.91 nM (pChEMBL 7.550000190734863)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Small ribosomal subunit protein mS34 (SINGLE PROTEIN), Homo sapiens
UniProt: P82930
Assay: Binding affinity to human MRPS34 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27.91 nM (pChEMBL 7.550000190734863)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: RNA-binding protein Musashi homolog 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96DH6
Assay: Binding affinity to human MSI2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.228 nM (pChEMBL 8.90999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: RNA-binding protein Musashi homolog 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96DH6
Assay: Binding affinity to human MSI2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.235 nM (pChEMBL 8.90999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(0) complex subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P03928
Assay: Binding affinity to human MT-ATP8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 45521.31 nM (pChEMBL 4.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(0) complex subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: P03928
Assay: Binding affinity to human MT-ATP8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 45628.04 nM (pChEMBL 4.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: c-Myc-binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q99417
Assay: Binding affinity to human MYCBP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 249150.72 nM (pChEMBL 3.5999999046325684)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Unconventional myosin-Ig (SINGLE PROTEIN), Homo sapiens
UniProt: B0I1T2
Assay: Binding affinity to human MYO1G incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2.174 nM (pChEMBL 8.65999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Unconventional myosin-Ig (SINGLE PROTEIN), Homo sapiens
UniProt: B0I1T2
Assay: Binding affinity to human MYO1G incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.174 nM (pChEMBL 8.65999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Nuclear cap-binding protein subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P52298
Assay: Binding affinity to human NCBP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.678 nM (pChEMBL 8.779999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Nuclear cap-binding protein subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P52298
Assay: Binding affinity to human NCBP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2.293 nM (pChEMBL 8.640000343322754)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P19404
Assay: Binding affinity to human NDUFV2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 570.62 nM (pChEMBL 6.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: NADH dehydrogenase [ubiquinone] flavoprotein 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P19404
Assay: Binding affinity to human NDUFV2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 570.62 nM (pChEMBL 6.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Nuclear factor NF-kappa-B p105 subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P19838
Assay: Binding affinity to human NFKB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 657.2 nM (pChEMBL 6.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Nuclear factor NF-kappa-B p105 subunit (SINGLE PROTEIN), Homo sapiens
UniProt: P19838
Assay: Binding affinity to human NFKB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 657.2 nM (pChEMBL 6.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Nucleolar MIF4G domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5C9Z4
Assay: Binding affinity to human NOM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.217 nM (pChEMBL 8.489999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Nucleolar MIF4G domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5C9Z4
Assay: Binding affinity to human NOM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.217 nM (pChEMBL 8.489999771118164)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Nucleolar protein 58 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2X3
Assay: Binding affinity to human NOP58 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 28.69 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Nucleolar protein 58 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2X3
Assay: Binding affinity to human NOP58 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 28.69 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Binding affinity to human NR3C1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38812.51 nM (pChEMBL 4.409999847412109)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Glucocorticoid receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P04150
Assay: Binding affinity to human NR3C1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53347.93 nM (pChEMBL 4.269999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: OCIA domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX40
Assay: Binding affinity to human OCIAD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6.036 nM (pChEMBL 8.220000267028809)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: OCIA domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX40
Assay: Binding affinity to human OCIAD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.036 nM (pChEMBL 8.220000267028809)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Origin recognition complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBD5
Assay: Binding affinity to human ORC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 22891.77 nM (pChEMBL 4.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Origin recognition complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBD5
Assay: Binding affinity to human ORC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 22891.77 nM (pChEMBL 4.639999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein kinase C and casein kinase substrate in neurons protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNF0
Assay: Binding affinity to human PACSIN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 579.01 nM (pChEMBL 6.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein kinase C and casein kinase substrate in neurons protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNF0
Assay: Binding affinity to human PACSIN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 579.01 nM (pChEMBL 6.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Presenilin-associated rhomboid-like protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H300
Assay: Binding affinity to human PARL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.508 nM (pChEMBL 8.350000381469727)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Presenilin-associated rhomboid-like protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H300
Assay: Binding affinity to human PARL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.508 nM (pChEMBL 8.350000381469727)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Binding affinity to human PASK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13546.44 nM (pChEMBL 4.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: PAS domain-containing serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96RG2
Assay: Binding affinity to human PASK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14689.58 nM (pChEMBL 4.829999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Programmed cell death protein 2-like (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRP1
Assay: Binding affinity to human PDCD2L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4321.62 nM (pChEMBL 5.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Programmed cell death protein 2-like (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRP1
Assay: Binding affinity to human PDCD2L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4490.75 nM (pChEMBL 5.349999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Peroxisomal biogenesis factor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56589
Assay: Binding affinity to human PEX3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10.22 nM (pChEMBL 7.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Peroxisomal biogenesis factor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P56589
Assay: Binding affinity to human PEX3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11.46 nM (pChEMBL 7.940000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Phosphorylated adapter RNA export protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H814
Assay: Binding affinity to human PHAX incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3507.8 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Phosphorylated adapter RNA export protein (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H814
Assay: Binding affinity to human PHAX incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3507.8 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: PHD finger protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IWS0
Assay: Binding affinity to human PHF6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2014.25 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: PHD finger protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8IWS0
Assay: Binding affinity to human PHF6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2014.25 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42338
Assay: Binding affinity to human PIK3CB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.632 nM (pChEMBL 8.789999961853027)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P42338
Assay: Binding affinity to human PIK3CB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.632 nM (pChEMBL 8.789999961853027)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: Binding affinity to human PIM2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12213.02 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase pim-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P1W9
Assay: Binding affinity to human PIM2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12213.02 nM (pChEMBL 4.909999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32