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: Hexokinase HKDC1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q2TB90
Assay: Binding affinity to human HKDC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5296.52 nM (pChEMBL 5.28000020980835)
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: HLA class I histocompatibility antigen, A alpha chain (SINGLE PROTEIN), Homo sapiens
UniProt: P04439
Assay: Binding affinity to human HLA-A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 55.39 nM (pChEMBL 7.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: HLA class I histocompatibility antigen, A alpha chain (SINGLE PROTEIN), Homo sapiens
UniProt: P04439
Assay: Binding affinity to human HLA-A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55.39 nM (pChEMBL 7.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: HLA class I histocompatibility antigen, C alpha chain (SINGLE PROTEIN), Homo sapiens
UniProt: P10321
Assay: Binding affinity to human HLA-C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2073.11 nM (pChEMBL 5.679999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: HLA class I histocompatibility antigen, C alpha chain (SINGLE PROTEIN), Homo sapiens
UniProt: P10321
Assay: Binding affinity to human HLA-C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2073.11 nM (pChEMBL 5.679999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Minor histocompatibility antigen H13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TCT9
Assay: Binding affinity to human HM13 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10641.48 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: Minor histocompatibility antigen H13 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TCT9
Assay: Binding affinity to human HM13 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10641.48 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: High mobility group protein B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P09429
Assay: Binding affinity to human HMGB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.34 nM (pChEMBL 7.300000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: High mobility group protein B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P09429
Assay: Binding affinity to human HMGB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50.34 nM (pChEMBL 7.300000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: High mobility group protein B2 (SINGLE PROTEIN), Homo sapiens
UniProt: P26583
Assay: Binding affinity to human HMGB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.75 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: High mobility group protein B2 (SINGLE PROTEIN), Homo sapiens
UniProt: P26583
Assay: Binding affinity to human HMGB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.75 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: High mobility group protein B3 (SINGLE PROTEIN), Homo sapiens
UniProt: O15347
Assay: Binding affinity to human HMGB3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 77208.18 nM (pChEMBL 4.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: High mobility group protein B3 (SINGLE PROTEIN), Homo sapiens
UniProt: O15347
Assay: Binding affinity to human HMGB3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 77208.18 nM (pChEMBL 4.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heme oxygenase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30519
Assay: Binding affinity to human HMOX2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20.04 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heme oxygenase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P30519
Assay: Binding affinity to human HMOX2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 20.04 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein A0 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13151
Assay: Binding affinity to human HNRNPA0 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.37 nM (pChEMBL 7.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein A0 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13151
Assay: Binding affinity to human HNRNPA0 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.37 nM (pChEMBL 7.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoproteins A2/B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P22626
Assay: Binding affinity to human HNRNPA2B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11.52 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoproteins A2/B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P22626
Assay: Binding affinity to human HNRNPA2B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11.52 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51991
Assay: Binding affinity to human HNRNPA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1069.93 nM (pChEMBL 5.96999979019165)
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: Heterogeneous nuclear ribonucleoprotein A3 (SINGLE PROTEIN), Homo sapiens
UniProt: P51991
Assay: Binding affinity to human HNRNPA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1069.93 nM (pChEMBL 5.96999979019165)
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: Heterogeneous nuclear ribonucleoprotein A/B (SINGLE PROTEIN), Homo sapiens
UniProt: Q99729
Assay: Binding affinity to human HNRNPAB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1361.39 nM (pChEMBL 5.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein A/B (SINGLE PROTEIN), Homo sapiens
UniProt: Q99729
Assay: Binding affinity to human HNRNPAB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1361.39 nM (pChEMBL 5.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoproteins C1/C2 (SINGLE PROTEIN), Homo sapiens
UniProt: P07910
Assay: Binding affinity to human HNRNPC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7542.06 nM (pChEMBL 5.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoproteins C1/C2 (SINGLE PROTEIN), Homo sapiens
UniProt: P07910
Assay: Binding affinity to human HNRNPC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7542.06 nM (pChEMBL 5.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein D0 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14103
Assay: Binding affinity to human HNRNPD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 26.66 nM (pChEMBL 7.570000171661377)
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: Heterogeneous nuclear ribonucleoprotein D0 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14103
Assay: Binding affinity to human HNRNPD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26.66 nM (pChEMBL 7.570000171661377)
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: Heterogeneous nuclear ribonucleoprotein F (SINGLE PROTEIN), Homo sapiens
UniProt: P52597
Assay: Binding affinity to human HNRNPF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 349.43 nM (pChEMBL 6.460000038146973)
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: Heterogeneous nuclear ribonucleoprotein F (SINGLE PROTEIN), Homo sapiens
UniProt: P52597
Assay: Binding affinity to human HNRNPF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 349.43 nM (pChEMBL 6.460000038146973)
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: Heterogeneous nuclear ribonucleoprotein H (SINGLE PROTEIN), Homo sapiens
UniProt: P31943
Assay: Binding affinity to human HNRNPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13208.13 nM (pChEMBL 4.880000114440918)
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: Heterogeneous nuclear ribonucleoprotein H (SINGLE PROTEIN), Homo sapiens
UniProt: P31943
Assay: Binding affinity to human HNRNPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13208.13 nM (pChEMBL 4.880000114440918)
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: Heterogeneous nuclear ribonucleoprotein H3 (SINGLE PROTEIN), Homo sapiens
UniProt: P31942
Assay: Binding affinity to human HNRNPH3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 14396.79 nM (pChEMBL 4.840000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein H3 (SINGLE PROTEIN), Homo sapiens
UniProt: P31942
Assay: Binding affinity to human HNRNPH3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17133.16 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: Heterogeneous nuclear ribonucleoprotein K (SINGLE PROTEIN), Homo sapiens
UniProt: P61978
Assay: Binding affinity to human HNRNPK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 184.16 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: Heterogeneous nuclear ribonucleoprotein K (SINGLE PROTEIN), Homo sapiens
UniProt: P61978
Assay: Binding affinity to human HNRNPK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 184.16 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: Heterogeneous nuclear ribonucleoprotein L (SINGLE PROTEIN), Homo sapiens
UniProt: P14866
Assay: Binding affinity to human HNRNPL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 41.98 nM (pChEMBL 7.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein L (SINGLE PROTEIN), Homo sapiens
UniProt: P14866
Assay: Binding affinity to human HNRNPL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 41.98 nM (pChEMBL 7.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein L-like (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WVV9
Assay: Binding affinity to human HNRNPLL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 40973.84 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: Heterogeneous nuclear ribonucleoprotein L-like (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WVV9
Assay: Binding affinity to human HNRNPLL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 40973.84 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: Heterogeneous nuclear ribonucleoprotein M (SINGLE PROTEIN), Homo sapiens
UniProt: P52272
Assay: Binding affinity to human HNRNPM incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13519.66 nM (pChEMBL 4.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein M (SINGLE PROTEIN), Homo sapiens
UniProt: P52272
Assay: Binding affinity to human HNRNPM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13519.66 nM (pChEMBL 4.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein R (SINGLE PROTEIN), Homo sapiens
UniProt: O43390
Assay: Binding affinity to human HNRNPR incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8.226 nM (pChEMBL 8.09000015258789)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein R (SINGLE PROTEIN), Homo sapiens
UniProt: O43390
Assay: Binding affinity to human HNRNPR incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8.226 nM (pChEMBL 8.09000015258789)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein U (SINGLE PROTEIN), Homo sapiens
UniProt: Q00839
Assay: Binding affinity to human HNRNPU incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13157939.95 nM (pChEMBL 1.8799999952316284)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein U-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUJ2
Assay: Binding affinity to human HNRNPUL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2559.93 nM (pChEMBL 5.590000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein U-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUJ2
Assay: Binding affinity to human HNRNPUL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2559.93 nM (pChEMBL 5.590000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein U-like protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q1KMD3
Assay: Binding affinity to human HNRNPUL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 175.32 nM (pChEMBL 6.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heterogeneous nuclear ribonucleoprotein U-like protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q1KMD3
Assay: Binding affinity to human HNRNPUL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 175.32 nM (pChEMBL 6.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Hypoxanthine-guanine phosphoribosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: P00492
Assay: Binding affinity to human HPRT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 59901.76 nM (pChEMBL 4.21999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Hypoxanthine-guanine phosphoribosyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: P00492
Assay: Binding affinity to human HPRT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 59901.76 nM (pChEMBL 4.21999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 3-hydroxyacyl-CoA dehydrogenase type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99714
Assay: Binding affinity to human HSD17B10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.84 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: 3-hydroxyacyl-CoA dehydrogenase type-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99714
Assay: Binding affinity to human HSD17B10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 50.84 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Very-long-chain 3-oxoacyl-CoA reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q53GQ0
Assay: Binding affinity to human HSD17B12 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.394 nM (pChEMBL 8.270000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Very-long-chain 3-oxoacyl-CoA reductase (SINGLE PROTEIN), Homo sapiens
UniProt: Q53GQ0
Assay: Binding affinity to human HSD17B12 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.394 nM (pChEMBL 8.270000457763672)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Peroxisomal multifunctional enzyme type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51659
Assay: Binding affinity to human HSD17B4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 849.6 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: Peroxisomal multifunctional enzyme type 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P51659
Assay: Binding affinity to human HSD17B4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 849.6 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: Hydroxysteroid dehydrogenase-like protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6YN16
Assay: Binding affinity to human HSDL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9945 nM (pChEMBL 5)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Hydroxysteroid dehydrogenase-like protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6YN16
Assay: Binding affinity to human HSDL2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10473.85 nM (pChEMBL 4.980000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: Binding affinity to human HSP90AA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 33068.33 nM (pChEMBL 4.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock protein HSP 90-alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P07900
Assay: Binding affinity to human HSP90AA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 33068.33 nM (pChEMBL 4.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock protein HSP 90-beta (SINGLE PROTEIN), Homo sapiens
UniProt: P08238
Assay: Binding affinity to human HSP90AB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 83.05 nM (pChEMBL 7.079999923706055)
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: Heat shock protein HSP 90-beta (SINGLE PROTEIN), Homo sapiens
UniProt: P08238
Assay: Binding affinity to human HSP90AB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 83.05 nM (pChEMBL 7.079999923706055)
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: Putative heat shock protein HSP 90-beta 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q58FF8
Assay: Binding affinity to human HSP90AB2P incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 572.76 nM (pChEMBL 6.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Putative heat shock protein HSP 90-beta 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q58FF8
Assay: Binding affinity to human HSP90AB2P incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 572.76 nM (pChEMBL 6.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Endoplasmin (SINGLE PROTEIN), Homo sapiens
UniProt: P14625
Assay: Binding affinity to human HSP90B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 55.92 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Endoplasmin (SINGLE PROTEIN), Homo sapiens
UniProt: P14625
Assay: Binding affinity to human HSP90B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55.92 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock 70 kDa protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P34932
Assay: Binding affinity to human HSPA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 77.68 nM (pChEMBL 7.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock 70 kDa protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: P34932
Assay: Binding affinity to human HSPA4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 77.68 nM (pChEMBL 7.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock 70 kDa protein 4L (SINGLE PROTEIN), Homo sapiens
UniProt: O95757
Assay: Binding affinity to human HSPA4L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 72490.13 nM (pChEMBL 4.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock 70 kDa protein 4L (SINGLE PROTEIN), Homo sapiens
UniProt: O95757
Assay: Binding affinity to human HSPA4L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 110625.3 nM (pChEMBL 3.9600000381469727)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Endoplasmic reticulum chaperone BiP (SINGLE PROTEIN), Homo sapiens
UniProt: P11021
Assay: Binding affinity to human HSPA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23.8 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: Endoplasmic reticulum chaperone BiP (SINGLE PROTEIN), Homo sapiens
UniProt: P11021
Assay: Binding affinity to human HSPA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 25.02 nM (pChEMBL 7.599999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock cognate 71 kDa protein (SINGLE PROTEIN), Homo sapiens
UniProt: P11142
Assay: Binding affinity to human HSPA8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1613.28 nM (pChEMBL 5.789999961853027)
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: Heat shock cognate 71 kDa protein (SINGLE PROTEIN), Homo sapiens
UniProt: P11142
Assay: Binding affinity to human HSPA8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1758.53 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: Stress-70 protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P38646
Assay: Binding affinity to human HSPA9 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 30.45 nM (pChEMBL 7.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Stress-70 protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P38646
Assay: Binding affinity to human HSPA9 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30.83 nM (pChEMBL 7.510000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock protein beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P04792
Assay: Binding affinity to human HSPB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10.94 nM (pChEMBL 7.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock protein beta-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P04792
Assay: Binding affinity to human HSPB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10.94 nM (pChEMBL 7.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 60 kDa heat shock protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P10809
Assay: Binding affinity to human HSPD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 147.53 nM (pChEMBL 6.829999923706055)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 60 kDa heat shock protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P10809
Assay: Binding affinity to human HSPD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 147.53 nM (pChEMBL 6.829999923706055)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 10 kDa heat shock protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P61604
Assay: Binding affinity to human HSPE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 76.53 nM (pChEMBL 7.119999885559082)
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: 10 kDa heat shock protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P61604
Assay: Binding affinity to human HSPE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 76.53 nM (pChEMBL 7.119999885559082)
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: Heat shock protein 105 kDa (SINGLE PROTEIN), Homo sapiens
UniProt: Q92598
Assay: Binding affinity to human HSPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8648.68 nM (pChEMBL 5.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heat shock protein 105 kDa (SINGLE PROTEIN), Homo sapiens
UniProt: Q92598
Assay: Binding affinity to human HSPH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8648.68 nM (pChEMBL 5.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: E3 ubiquitin-protein ligase HUWE1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z6Z7
Assay: Binding affinity to human HUWE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3186.12 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: E3 ubiquitin-protein ligase HUWE1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z6Z7
Assay: Binding affinity to human HUWE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3186.12 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: Voltage-gated hydrogen channel 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96D96
Assay: Binding affinity to human HVCN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 82515.02 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Voltage-gated hydrogen channel 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96D96
Assay: Binding affinity to human HVCN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 82515.02 nM (pChEMBL 4.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Hypoxia up-regulated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4L1
Assay: Binding affinity to human HYOU1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 52.36 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: Hypoxia up-regulated protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y4L1
Assay: Binding affinity to human HYOU1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.36 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: Huntingtin-interacting protein K (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX55
Assay: Binding affinity to human HYPK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18.84 nM (pChEMBL 7.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Huntingtin-interacting protein K (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NX55
Assay: Binding affinity to human HYPK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18.84 nM (pChEMBL 7.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Isoleucine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P41252
Assay: Binding affinity to human IARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4573.5 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: Isoleucine--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P41252
Assay: Binding affinity to human IARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4573.5 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: Isoleucine--tRNA ligase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NSE4
Assay: Binding affinity to human IARS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 778.55 nM (pChEMBL 6.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Isoleucine--tRNA ligase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NSE4
Assay: Binding affinity to human IARS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 778.55 nM (pChEMBL 6.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase ICK (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPZ9
Assay: Binding affinity to human ICK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19.79 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase ICK (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UPZ9
Assay: Binding affinity to human ICK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 29.2 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: Protein-S-isoprenylcysteine O-methyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: O60725
Assay: Binding affinity to human ICMT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7742.98 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein-S-isoprenylcysteine O-methyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: O60725
Assay: Binding affinity to human ICMT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9351.07 nM (pChEMBL 5.03000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NADP] cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: O75874
Assay: Binding affinity to human IDH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 64.1 nM (pChEMBL 7.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NADP] cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: O75874
Assay: Binding affinity to human IDH1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 64.1 nM (pChEMBL 7.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NADP], mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P48735
Assay: Binding affinity to human IDH2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16810.9 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: Isocitrate dehydrogenase [NADP], mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P48735
Assay: Binding affinity to human IDH2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16810.9 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: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P50213
Assay: Binding affinity to human IDH3A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 34.36 nM (pChEMBL 7.460000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P50213
Assay: Binding affinity to human IDH3A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 34.36 nM (pChEMBL 7.460000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O43837
Assay: Binding affinity to human IDH3B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56469.14 nM (pChEMBL 4.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O43837
Assay: Binding affinity to human IDH3B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 56469.14 nM (pChEMBL 4.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Binding affinity to human IGF1R incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5427.6 nM (pChEMBL 5.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Insulin-like growth factor 1 receptor (SINGLE PROTEIN), Homo sapiens
UniProt: P08069
Assay: Binding affinity to human IGF1R incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8201.36 nM (pChEMBL 5.090000152587891)
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: Insulin-like growth factor 2 mRNA-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NZI8
Assay: Binding affinity to human IGF2BP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.69 nM (pChEMBL 7.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Insulin-like growth factor 2 mRNA-binding protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NZI8
Assay: Binding affinity to human IGF2BP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.69 nM (pChEMBL 7.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32