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: Transformer-2 protein homolog beta (SINGLE PROTEIN), Homo sapiens
UniProt: P62995
Assay: Binding affinity to human TRA2B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12.12 nM (pChEMBL 7.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: TNF receptor-associated factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12933
Assay: Binding affinity to human TRAF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2585.22 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: TNF receptor-associated factor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12933
Assay: Binding affinity to human TRAF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3107.45 nM (pChEMBL 5.510000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heat shock protein 75 kDa, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q12931
Assay: Binding affinity to human TRAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7631.68 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Heat shock protein 75 kDa, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q12931
Assay: Binding affinity to human TRAP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7631.68 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: E3 ubiquitin/ISG15 ligase TRIM25 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14258
Assay: Binding affinity to human TRIM25 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 401071.52 nM (pChEMBL 3.4000000953674316)
Descriptors: MW 503.49, ALogP 5.75, 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: Transcription intermediary factor 1-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13263
Assay: Binding affinity to human TRIM28 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 59217.01 nM (pChEMBL 4.230000019073486)
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: Transcription intermediary factor 1-beta (SINGLE PROTEIN), Homo sapiens
UniProt: Q13263
Assay: Binding affinity to human TRIM28 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 59217.01 nM (pChEMBL 4.230000019073486)
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: RNA-binding protein RO60 (SINGLE PROTEIN), Homo sapiens
UniProt: P10155
Assay: Binding affinity to human TROVE2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2183.76 nM (pChEMBL 5.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: RNA-binding protein RO60 (SINGLE PROTEIN), Homo sapiens
UniProt: P10155
Assay: Binding affinity to human TROVE2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2183.76 nM (pChEMBL 5.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Translin (SINGLE PROTEIN), Homo sapiens
UniProt: Q15631
Assay: Binding affinity to human TSN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38369.75 nM (pChEMBL 4.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, 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: Translin (SINGLE PROTEIN), Homo sapiens
UniProt: Q15631
Assay: Binding affinity to human TSN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 38369.75 nM (pChEMBL 4.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, 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: Translocator protein (SINGLE PROTEIN), Homo sapiens
UniProt: P30536
Assay: Binding affinity to human TSPO incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 102.8 nM (pChEMBL 6.989999771118164)
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: Translocator protein (SINGLE PROTEIN), Homo sapiens
UniProt: P30536
Assay: Binding affinity to human TSPO incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 102.8 nM (pChEMBL 6.989999771118164)
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: Tetratricopeptide repeat protein 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96N46
Assay: Binding affinity to human TTC14 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1895.09 nM (pChEMBL 5.71999979019165)
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: Tetratricopeptide repeat protein 14 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96N46
Assay: Binding affinity to human TTC14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1895.09 nM (pChEMBL 5.71999979019165)
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: TELO2-interacting protein 1 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: O43156
Assay: Binding affinity to human TTI1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4369604.92 nM (pChEMBL 2.359999895095825)
Descriptors: MW 503.49, ALogP 5.75, 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: Titin (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WZ42
Assay: Binding affinity to human TTN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 49.56 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Titin (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WZ42
Assay: Binding affinity to human TTN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 52.2 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin alpha-1B chain (SINGLE PROTEIN), Homo sapiens
UniProt: P68363
Assay: Binding affinity to human TUBA1B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1733.04 nM (pChEMBL 5.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin alpha-1B chain (SINGLE PROTEIN), Homo sapiens
UniProt: P68363
Assay: Binding affinity to human TUBA1B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1733.04 nM (pChEMBL 5.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin alpha-1C chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BQE3
Assay: Binding affinity to human TUBA1C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.13 nM (pChEMBL 8.289999961853027)
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: Tubulin alpha-1C chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BQE3
Assay: Binding affinity to human TUBA1C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.639 nM (pChEMBL 8.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin alpha-4A chain (SINGLE PROTEIN), Homo sapiens
UniProt: P68366
Assay: Binding affinity to human TUBA4A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 12.17 nM (pChEMBL 7.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin alpha-4A chain (SINGLE PROTEIN), Homo sapiens
UniProt: P68366
Assay: Binding affinity to human TUBA4A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12.17 nM (pChEMBL 7.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin beta-5 chain (SINGLE PROTEIN), Homo sapiens
UniProt: P07437
Assay: Binding affinity to human TUBB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2460.17 nM (pChEMBL 5.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin beta-5 chain (SINGLE PROTEIN), Homo sapiens
UniProt: P07437
Assay: Binding affinity to human TUBB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2460.17 nM (pChEMBL 5.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin beta-2B chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BVA1
Assay: Binding affinity to human TUBB2B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 241.32 nM (pChEMBL 6.619999885559082)
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: Tubulin beta-2B chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BVA1
Assay: Binding affinity to human TUBB2B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 241.32 nM (pChEMBL 6.619999885559082)
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: Tubulin beta-3 chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q13509
Assay: Binding affinity to human TUBB3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3060.3 nM (pChEMBL 5.510000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin beta-3 chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q13509
Assay: Binding affinity to human TUBB3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3060.3 nM (pChEMBL 5.510000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin beta-4B chain (SINGLE PROTEIN), Homo sapiens
UniProt: P68371
Assay: Binding affinity to human TUBB4B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2675.88 nM (pChEMBL 5.570000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin beta-4B chain (SINGLE PROTEIN), Homo sapiens
UniProt: P68371
Assay: Binding affinity to human TUBB4B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2675.88 nM (pChEMBL 5.570000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin beta-6 chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUF5
Assay: Binding affinity to human TUBB6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2530.67 nM (pChEMBL 5.599999904632568)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Tubulin beta-6 chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BUF5
Assay: Binding affinity to human TUBB6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2530.67 nM (pChEMBL 5.599999904632568)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Gamma-tubulin complex component 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BSJ2
Assay: Binding affinity to human TUBGCP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 160.29 nM (pChEMBL 6.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Gamma-tubulin complex component 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BSJ2
Assay: Binding affinity to human TUBGCP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 160.43 nM (pChEMBL 6.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Gamma-tubulin complex component 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96CW5
Assay: Binding affinity to human TUBGCP3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10182.78 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: Gamma-tubulin complex component 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96CW5
Assay: Binding affinity to human TUBGCP3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10182.78 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: Elongation factor Tu, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P49411
Assay: Binding affinity to human TUFM incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 248.16 nM (pChEMBL 6.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Elongation factor Tu, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P49411
Assay: Binding affinity to human TUFM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 248.16 nM (pChEMBL 6.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Thioredoxin (SINGLE PROTEIN), Homo sapiens
UniProt: P10599
Assay: Binding affinity to human TXN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13134.53 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Thioredoxin (SINGLE PROTEIN), Homo sapiens
UniProt: P10599
Assay: Binding affinity to human TXN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13134.53 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Thioredoxin reductase 1, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: Q16881
Assay: Binding affinity to human TXNRD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 32630.34 nM (pChEMBL 4.489999771118164)
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: Thioredoxin reductase 1, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: Q16881
Assay: Binding affinity to human TXNRD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 32630.34 nM (pChEMBL 4.489999771118164)
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: Non-receptor tyrosine-protein kinase TYK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29597
Assay: Binding affinity to human TYK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 36317.56 nM (pChEMBL 4.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Non-receptor tyrosine-protein kinase TYK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P29597
Assay: Binding affinity to human TYK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 69653.02 nM (pChEMBL 4.159999847412109)
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: Splicing factor U2AF 35 kDa subunit (SINGLE PROTEIN), Homo sapiens
UniProt: Q01081
Assay: Binding affinity to human U2AF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.531 nM (pChEMBL 9.279999732971191)
Descriptors: MW 503.49, ALogP 5.75, 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: Splicing factor U2AF 35 kDa subunit (SINGLE PROTEIN), Homo sapiens
UniProt: Q01081
Assay: Binding affinity to human U2AF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.531 nM (pChEMBL 9.279999732971191)
Descriptors: MW 503.49, ALogP 5.75, 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: U2 snRNP-associated SURP motif-containing protein (SINGLE PROTEIN), Homo sapiens
UniProt: O15042
Assay: Binding affinity to human U2SURP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19.41 nM (pChEMBL 7.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: U2 snRNP-associated SURP motif-containing protein (SINGLE PROTEIN), Homo sapiens
UniProt: O15042
Assay: Binding affinity to human U2SURP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 19.41 nM (pChEMBL 7.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ubiquitin-associated protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T6F2
Assay: Binding affinity to human UBAP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 110998.11 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ubiquitin-associated protein 2-like (SINGLE PROTEIN), Homo sapiens
UniProt: Q14157
Assay: Binding affinity to human UBAP2L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13278.99 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ubiquitin-associated protein 2-like (SINGLE PROTEIN), Homo sapiens
UniProt: Q14157
Assay: Binding affinity to human UBAP2L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13278.99 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: SUMO-conjugating enzyme UBC9 (SINGLE PROTEIN), Homo sapiens
UniProt: P63279
Assay: Binding affinity to human UBE2I incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 47746.21 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: SUMO-conjugating enzyme UBC9 (SINGLE PROTEIN), Homo sapiens
UniProt: P63279
Assay: Binding affinity to human UBE2I incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 47746.21 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: Ubiquitin-conjugating enzyme E2 L3 (SINGLE PROTEIN), Homo sapiens
UniProt: P68036
Assay: Binding affinity to human UBE2L3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5785.94 nM (pChEMBL 5.239999771118164)
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: Ubiquitin-conjugating enzyme E2 L3 (SINGLE PROTEIN), Homo sapiens
UniProt: P68036
Assay: Binding affinity to human UBE2L3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5785.94 nM (pChEMBL 5.239999771118164)
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: Ubiquitin-protein ligase E3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q05086
Assay: Binding affinity to human UBE3A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6777.47 nM (pChEMBL 5.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ubiquitin-protein ligase E3A (SINGLE PROTEIN), Homo sapiens
UniProt: Q05086
Assay: Binding affinity to human UBE3A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6961.83 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: Ubiquitin-protein ligase E3C (SINGLE PROTEIN), Homo sapiens
UniProt: Q15386
Assay: Binding affinity to human UBE3C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11.59 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: Ubiquitin-protein ligase E3C (SINGLE PROTEIN), Homo sapiens
UniProt: Q15386
Assay: Binding affinity to human UBE3C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11.74 nM (pChEMBL 7.929999828338623)
Descriptors: MW 503.49, ALogP 5.75, 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: E3 ubiquitin-protein ligase UBR4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T4S7
Assay: Binding affinity to human UBR4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.662 nM (pChEMBL 8.4399995803833)
Descriptors: MW 503.49, ALogP 5.75, 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: E3 ubiquitin-protein ligase UBR4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5T4S7
Assay: Binding affinity to human UBR4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.662 nM (pChEMBL 8.4399995803833)
Descriptors: MW 503.49, ALogP 5.75, 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: UBX domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q04323
Assay: Binding affinity to human UBXN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 24260.66 nM (pChEMBL 4.619999885559082)
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: UBX domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q04323
Assay: Binding affinity to human UBXN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30651.47 nM (pChEMBL 4.510000228881836)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: UDP-glucose:glycoprotein glucosyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYU2
Assay: Binding affinity to human UGGT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 54473.49 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: UDP-glucose:glycoprotein glucosyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NYU2
Assay: Binding affinity to human UGGT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 54473.49 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: Serine/threonine-protein kinase ULK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75385
Assay: Binding affinity to human ULK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2401.89 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 ULK1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75385
Assay: Binding affinity to human ULK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3595.33 nM (pChEMBL 5.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase ULK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6PHR2
Assay: Binding affinity to human ULK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1608.54 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase ULK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6PHR2
Assay: Binding affinity to human ULK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3543.33 nM (pChEMBL 5.449999809265137)
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: Protein unc-119 homolog A (SINGLE PROTEIN), Homo sapiens
UniProt: Q13432
Assay: Binding affinity to human UNC119 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 333.78 nM (pChEMBL 6.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein unc-119 homolog A (SINGLE PROTEIN), Homo sapiens
UniProt: Q13432
Assay: Binding affinity to human UNC119 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 459.87 nM (pChEMBL 6.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cytochrome b-c1 complex subunit 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P31930
Assay: Binding affinity to human UQCRC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 65501.7 nM (pChEMBL 4.179999828338623)
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: Cytochrome b-c1 complex subunit 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P31930
Assay: Binding affinity to human UQCRC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 65501.7 nM (pChEMBL 4.179999828338623)
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: Cytochrome b-c1 complex subunit 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P22695
Assay: Binding affinity to human UQCRC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.842 nM (pChEMBL 8.229999542236328)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cytochrome b-c1 complex subunit 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P22695
Assay: Binding affinity to human UQCRC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.842 nM (pChEMBL 8.229999542236328)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Unhealthy ribosome biogenesis protein 2 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q14146
Assay: Binding affinity to human URB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2877.53 nM (pChEMBL 5.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Unhealthy ribosome biogenesis protein 2 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q14146
Assay: Binding affinity to human URB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2877.53 nM (pChEMBL 5.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: ATP synthase F(0) complex subunit k, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q96IX5
Assay: Binding affinity to human USMG5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 128479.05 nM (pChEMBL 3.890000104904175)
Descriptors: MW 503.49, ALogP 5.75, 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: Ubiquitin carboxyl-terminal hydrolase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14694
Assay: Binding affinity to human USP10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4330.6 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: Ubiquitin carboxyl-terminal hydrolase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14694
Assay: Binding affinity to human USP10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4330.6 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: Ubiquitin carboxyl-terminal hydrolase 39 (SINGLE PROTEIN), Homo sapiens
UniProt: Q53GS9
Assay: Binding affinity to human USP39 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 65594.36 nM (pChEMBL 4.179999828338623)
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: Ubiquitin carboxyl-terminal hydrolase 39 (SINGLE PROTEIN), Homo sapiens
UniProt: Q53GS9
Assay: Binding affinity to human USP39 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 95806.14 nM (pChEMBL 4.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ubiquitin carboxyl-terminal hydrolase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P45974
Assay: Binding affinity to human USP5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 129519.98 nM (pChEMBL 3.890000104904175)
Descriptors: MW 503.49, ALogP 5.75, 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: Ubiquitin carboxyl-terminal hydrolase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q93009
Assay: Binding affinity to human USP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6.158 nM (pChEMBL 8.210000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Ubiquitin carboxyl-terminal hydrolase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q93009
Assay: Binding affinity to human USP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.158 nM (pChEMBL 8.210000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein VAC14 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q08AM6
Assay: Binding affinity to human VAC14 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 619 nM (pChEMBL 6.210000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Protein VAC14 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q08AM6
Assay: Binding affinity to human VAC14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 647.55 nM (pChEMBL 6.190000057220459)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Vesicle-associated membrane protein 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BV40
Assay: Binding affinity to human VAMP8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1835.15 nM (pChEMBL 5.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Vesicle-associated membrane protein 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BV40
Assay: Binding affinity to human VAMP8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1835.15 nM (pChEMBL 5.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Valine--tRNA ligase (SINGLE PROTEIN), Homo sapiens
UniProt: P26640
Assay: Binding affinity to human VARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2385.48 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: Valine--tRNA ligase (SINGLE PROTEIN), Homo sapiens
UniProt: P26640
Assay: Binding affinity to human VARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2385.48 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: Synaptic vesicle membrane protein VAT-1 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q99536
Assay: Binding affinity to human VAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7963.84 nM (pChEMBL 5.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Synaptic vesicle membrane protein VAT-1 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q99536
Assay: Binding affinity to human VAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7963.84 nM (pChEMBL 5.099999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Vinculin (SINGLE PROTEIN), Homo sapiens
UniProt: P18206
Assay: Binding affinity to human VCL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 358.93 nM (pChEMBL 6.449999809265137)
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: Vinculin (SINGLE PROTEIN), Homo sapiens
UniProt: P18206
Assay: Binding affinity to human VCL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 358.93 nM (pChEMBL 6.449999809265137)
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: Transitional endoplasmic reticulum ATPase (SINGLE PROTEIN), Homo sapiens
UniProt: P55072
Assay: Binding affinity to human VCP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5068.86 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: Transitional endoplasmic reticulum ATPase (SINGLE PROTEIN), Homo sapiens
UniProt: P55072
Assay: Binding affinity to human VCP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5068.86 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: Non-selective voltage-gated ion channel VDAC1 (SINGLE PROTEIN), Homo sapiens
UniProt: P21796
Assay: Binding affinity to human VDAC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8.989 nM (pChEMBL 8.050000190734863)
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: Non-selective voltage-gated ion channel VDAC1 (SINGLE PROTEIN), Homo sapiens
UniProt: P21796
Assay: Binding affinity to human VDAC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8.989 nM (pChEMBL 8.050000190734863)
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: Non-selective voltage-gated ion channel VDAC2 (SINGLE PROTEIN), Homo sapiens
UniProt: P45880
Assay: Binding affinity to human VDAC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3151.26 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Non-selective voltage-gated ion channel VDAC2 (SINGLE PROTEIN), Homo sapiens
UniProt: P45880
Assay: Binding affinity to human VDAC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3151.26 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Non-selective voltage-gated ion channel VDAC3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y277
Assay: Binding affinity to human VDAC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 744.55 nM (pChEMBL 6.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Non-selective voltage-gated ion channel VDAC3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y277
Assay: Binding affinity to human VDAC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 744.55 nM (pChEMBL 6.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Neurosecretory protein VGF (SINGLE PROTEIN), Homo sapiens
UniProt: O15240
Assay: Binding affinity to human VGF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2220.02 nM (pChEMBL 5.650000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Neurosecretory protein VGF (SINGLE PROTEIN), Homo sapiens
UniProt: O15240
Assay: Binding affinity to human VGF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2220.02 nM (pChEMBL 5.650000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Vimentin (SINGLE PROTEIN), Homo sapiens
UniProt: P08670
Assay: Binding affinity to human VIM incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 640.22 nM (pChEMBL 6.190000057220459)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Vimentin (SINGLE PROTEIN), Homo sapiens
UniProt: P08670
Assay: Binding affinity to human VIM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1033.32 nM (pChEMBL 5.989999771118164)
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: Vitamin K epoxide reductase complex subunit 1-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N0U8
Assay: Binding affinity to human VKORC1L1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5888.66 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: Vitamin K epoxide reductase complex subunit 1-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N0U8
Assay: Binding affinity to human VKORC1L1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5888.66 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: Vacuole membrane protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GC9
Assay: Binding affinity to human VMP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 30177.07 nM (pChEMBL 4.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Vacuole membrane protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GC9
Assay: Binding affinity to human VMP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30177.07 nM (pChEMBL 4.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32