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: Ceroid-lipofuscinosis neuronal protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NWW5
Assay: Binding affinity to human CLN6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 12524.82 nM (pChEMBL 4.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Clathrin light chain A (SINGLE PROTEIN), Homo sapiens
UniProt: P09496
Assay: Binding affinity to human CLTA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 550.29 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Clathrin light chain A (SINGLE PROTEIN), Homo sapiens
UniProt: P09496
Assay: Binding affinity to human CLTA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 550.29 nM (pChEMBL 6.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Clathrin heavy chain 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00610
Assay: Binding affinity to human CLTC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 18.95 nM (pChEMBL 7.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Clathrin heavy chain 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q00610
Assay: Binding affinity to human CLTC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 18.95 nM (pChEMBL 7.71999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Carboxymethylenebutenolidase homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q96DG6
Assay: Binding affinity to human CMBL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 626.61 nM (pChEMBL 6.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, 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: Carboxymethylenebutenolidase homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q96DG6
Assay: Binding affinity to human CMBL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 671.39 nM (pChEMBL 6.170000076293945)
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: Calponin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99439
Assay: Binding affinity to human CNN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 85493.73 nM (pChEMBL 4.070000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Calponin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99439
Assay: Binding affinity to human CNN2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 85493.73 nM (pChEMBL 4.070000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: CCR4-NOT transcription complex subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: A5YKK6
Assay: Binding affinity to human CNOT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 68.75 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: CCR4-NOT transcription complex subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: A5YKK6
Assay: Binding affinity to human CNOT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 68.75 nM (pChEMBL 7.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WTW3
Assay: Binding affinity to human COG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3.9 nM (pChEMBL 8.40999984741211)
Descriptors: MW 503.49, ALogP 5.75, 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: Conserved oligomeric Golgi complex subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WTW3
Assay: Binding affinity to human COG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3.9 nM (pChEMBL 8.40999984741211)
Descriptors: MW 503.49, ALogP 5.75, 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: Conserved oligomeric Golgi complex subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H9E3
Assay: Binding affinity to human COG4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4575.93 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H9E3
Assay: Binding affinity to human COG4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4611.6 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UP83
Assay: Binding affinity to human COG5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7287.78 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UP83
Assay: Binding affinity to human COG5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7287.78 nM (pChEMBL 5.139999866485596)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2V7
Assay: Binding affinity to human COG6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 269.12 nM (pChEMBL 6.570000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2V7
Assay: Binding affinity to human COG6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 269.12 nM (pChEMBL 6.570000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P83436
Assay: Binding affinity to human COG7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.96 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P83436
Assay: Binding affinity to human COG7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.96 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96MW5
Assay: Binding affinity to human COG8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.165 nM (pChEMBL 8.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96MW5
Assay: Binding affinity to human COG8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.165 nM (pChEMBL 8.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Catechol O-methyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: P21964
Assay: Binding affinity to human COMT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21622.74 nM (pChEMBL 4.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Catechol O-methyltransferase (SINGLE PROTEIN), Homo sapiens
UniProt: P21964
Assay: Binding affinity to human COMT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21622.74 nM (pChEMBL 4.670000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P53621
Assay: Binding affinity to human COPA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 127.15 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit alpha (SINGLE PROTEIN), Homo sapiens
UniProt: P53621
Assay: Binding affinity to human COPA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 127.15 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P53618
Assay: Binding affinity to human COPB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 813.29 nM (pChEMBL 6.090000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit beta (SINGLE PROTEIN), Homo sapiens
UniProt: P53618
Assay: Binding affinity to human COPB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 813.29 nM (pChEMBL 6.090000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit beta' (SINGLE PROTEIN), Homo sapiens
UniProt: P35606
Assay: Binding affinity to human COPB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.06 nM (pChEMBL 7.769999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit beta' (SINGLE PROTEIN), Homo sapiens
UniProt: P35606
Assay: Binding affinity to human COPB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.06 nM (pChEMBL 7.769999980926514)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: O14579
Assay: Binding affinity to human COPE incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 786.74 nM (pChEMBL 6.099999904632568)
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: Coatomer subunit epsilon (SINGLE PROTEIN), Homo sapiens
UniProt: O14579
Assay: Binding affinity to human COPE incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 786.74 nM (pChEMBL 6.099999904632568)
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: Coatomer subunit gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y678
Assay: Binding affinity to human COPG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 164.28 nM (pChEMBL 6.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit gamma-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y678
Assay: Binding affinity to human COPG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 164.28 nM (pChEMBL 6.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBF2
Assay: Binding affinity to human COPG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7486.44 nM (pChEMBL 5.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coatomer subunit gamma-2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UBF2
Assay: Binding affinity to human COPG2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7486.44 nM (pChEMBL 5.130000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: COP9 signalosome complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P61201
Assay: Binding affinity to human COPS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 24580.31 nM (pChEMBL 4.610000133514404)
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: COP9 signalosome complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P61201
Assay: Binding affinity to human COPS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 24580.31 nM (pChEMBL 4.610000133514404)
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: Coronin-1A (SINGLE PROTEIN), Homo sapiens
UniProt: P31146
Assay: Binding affinity to human CORO1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16463.16 nM (pChEMBL 4.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Coronin-1A (SINGLE PROTEIN), Homo sapiens
UniProt: P31146
Assay: Binding affinity to human CORO1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16463.16 nM (pChEMBL 4.78000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cytochrome c oxidase subunit 5A, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P20674
Assay: Binding affinity to human COX5A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3623.32 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: Cytochrome c oxidase subunit 5A, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P20674
Assay: Binding affinity to human COX5A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3623.32 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: Cytochrome c oxidase subunit 5B, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P10606
Assay: Binding affinity to human COX5B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 35232.82 nM (pChEMBL 4.449999809265137)
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: Cytochrome c oxidase subunit 5B, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P10606
Assay: Binding affinity to human COX5B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 39352.46 nM (pChEMBL 4.409999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cytochrome c oxidase subunit 6C (SINGLE PROTEIN), Homo sapiens
UniProt: P09669
Assay: Binding affinity to human COX6C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16223.06 nM (pChEMBL 4.789999961853027)
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: Cytochrome c oxidase subunit 6C (SINGLE PROTEIN), Homo sapiens
UniProt: P09669
Assay: Binding affinity to human COX6C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16223.06 nM (pChEMBL 4.789999961853027)
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: Carbamoyl-phosphate synthase [ammonia], mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P31327
Assay: Binding affinity to human CPS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11753.94 nM (pChEMBL 4.929999828338623)
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: Carbamoyl-phosphate synthase [ammonia], mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P31327
Assay: Binding affinity to human CPS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11753.94 nM (pChEMBL 4.929999828338623)
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: Cleavage and polyadenylation specificity factor subunit 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16630
Assay: Binding affinity to human CPSF6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 14950.32 nM (pChEMBL 4.829999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cleavage and polyadenylation specificity factor subunit 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q16630
Assay: Binding affinity to human CPSF6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14950.32 nM (pChEMBL 4.829999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: Binding affinity to human CPT1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.402 nM (pChEMBL 8.850000381469727)
Descriptors: MW 503.49, ALogP 5.75, 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: Carnitine O-palmitoyltransferase 1, liver isoform (SINGLE PROTEIN), Homo sapiens
UniProt: P50416
Assay: Binding affinity to human CPT1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.402 nM (pChEMBL 8.850000381469727)
Descriptors: MW 503.49, ALogP 5.75, 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: Crk-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: P46109
Assay: Binding affinity to human CRKL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 77.94 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Crk-like protein (SINGLE PROTEIN), Homo sapiens
UniProt: P46109
Assay: Binding affinity to human CRKL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 84.33 nM (pChEMBL 7.070000171661377)
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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit L (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y262
Assay: Binding affinity to human EIF3L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2495.84 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: Eukaryotic translation initiation factor 3 subunit L (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y262
Assay: Binding affinity to human EIF3L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2495.84 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: Eukaryotic translation initiation factor 3 subunit J (SINGLE PROTEIN), Homo sapiens
UniProt: O75822
Assay: Binding affinity to human EIF3J incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 126.29 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit J (SINGLE PROTEIN), Homo sapiens
UniProt: O75822
Assay: Binding affinity to human EIF3J incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 126.29 nM (pChEMBL 6.900000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit H (SINGLE PROTEIN), Homo sapiens
UniProt: O15372
Assay: Binding affinity to human EIF3H incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1400.33 nM (pChEMBL 5.849999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit H (SINGLE PROTEIN), Homo sapiens
UniProt: O15372
Assay: Binding affinity to human EIF3H incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1400.33 nM (pChEMBL 5.849999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit I (SINGLE PROTEIN), Homo sapiens
UniProt: Q13347
Assay: Binding affinity to human EIF3I incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 107.9 nM (pChEMBL 6.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit I (SINGLE PROTEIN), Homo sapiens
UniProt: Q13347
Assay: Binding affinity to human EIF3I incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 107.9 nM (pChEMBL 6.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit G (SINGLE PROTEIN), Homo sapiens
UniProt: O75821
Assay: Binding affinity to human EIF3G incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.675 nM (pChEMBL 8.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit G (SINGLE PROTEIN), Homo sapiens
UniProt: O75821
Assay: Binding affinity to human EIF3G incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.675 nM (pChEMBL 8.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit E (SINGLE PROTEIN), Homo sapiens
UniProt: P60228
Assay: Binding affinity to human EIF3E incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 24452.3 nM (pChEMBL 4.610000133514404)
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: Eukaryotic translation initiation factor 3 subunit E (SINGLE PROTEIN), Homo sapiens
UniProt: P60228
Assay: Binding affinity to human EIF3E incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 24452.3 nM (pChEMBL 4.610000133514404)
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: Eukaryotic translation initiation factor 3 subunit D (SINGLE PROTEIN), Homo sapiens
UniProt: O15371
Assay: Binding affinity to human EIF3D incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27401.91 nM (pChEMBL 4.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit D (SINGLE PROTEIN), Homo sapiens
UniProt: O15371
Assay: Binding affinity to human EIF3D incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27401.91 nM (pChEMBL 4.559999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14152
Assay: Binding affinity to human EIF3A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 535.24 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14152
Assay: Binding affinity to human EIF3A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 535.24 nM (pChEMBL 6.269999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit B (SINGLE PROTEIN), Homo sapiens
UniProt: P55884
Assay: Binding affinity to human EIF3B incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9871.69 nM (pChEMBL 5.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Eukaryotic translation initiation factor 3 subunit B (SINGLE PROTEIN), Homo sapiens
UniProt: P55884
Assay: Binding affinity to human EIF3B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9871.69 nM (pChEMBL 5.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Citrate synthase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75390
Assay: Binding affinity to human CS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 28577.9 nM (pChEMBL 4.539999961853027)
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: Citrate synthase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: O75390
Assay: Binding affinity to human CS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 28577.9 nM (pChEMBL 4.539999961853027)
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: Cold shock domain-containing protein E1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75534
Assay: Binding affinity to human CSDE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 72583.36 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Cold shock domain-containing protein E1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75534
Assay: Binding affinity to human CSDE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 72583.36 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)nc2c1cnn2C
InChIKey: ZCCPLJOKGAACRT-UHFFFAOYSA-N
Target: Exportin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P55060
Assay: Binding affinity to human CSE1L incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1937.83 nM (pChEMBL 5.710000038146973)
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: Exportin-2 (SINGLE PROTEIN), Homo sapiens
UniProt: P55060
Assay: Binding affinity to human CSE1L incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1937.83 nM (pChEMBL 5.710000038146973)
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: Tyrosine-protein kinase CSK (SINGLE PROTEIN), Homo sapiens
UniProt: P41240
Assay: Binding affinity to human CSK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2430.78 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: Tyrosine-protein kinase CSK (SINGLE PROTEIN), Homo sapiens
UniProt: P41240
Assay: Binding affinity to human CSK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4516.61 nM (pChEMBL 5.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)C(O)(CCN(C)C)c1ccccc1
InChIKey: QXQOBCBJOCQFRK-UHFFFAOYSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 70 nM (pChEMBL 7.159999847412109)
Descriptors: MW 507.63, ALogP 5.77, HBA 6, HBD 1, PSA 67.71, QED 0.27
Compound (SMILES): COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)C(O)(CCN(C)C)c1cccc(Br)c1
InChIKey: JEEVMYLVUPBCFP-UHFFFAOYSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 586.53, ALogP 6.53, HBA 6, HBD 1, PSA 67.71, QED 0.21
Compound (SMILES): C=CCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCC=C)C(O)(CCN(C)C)c1ccccc1
InChIKey: DZMUNSHMBCIBDH-UHFFFAOYSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 40 nM (pChEMBL 7.400000095367432)
Descriptors: MW 559.71, ALogP 6.88, HBA 6, HBD 1, PSA 67.71, QED 0.16
Compound (SMILES): C=CCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCC=C)C(O)(CCN(C)C)c1cccc(Br)c1
InChIKey: VBVMGRCNUWHODZ-UHFFFAOYSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 638.61, ALogP 7.65, HBA 6, HBD 1, PSA 67.71, QED 0.13
Compound (SMILES): C=CCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCC=C)C(O)(CCN(C)C)c1ccc(Br)cc1
InChIKey: TXZGGVBUNOVBHL-UHFFFAOYSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 280 nM (pChEMBL 6.550000190734863)
Descriptors: MW 638.61, ALogP 7.65, HBA 6, HBD 1, PSA 67.71, QED 0.13
Compound (SMILES): C=CCCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCCC=C)C(O)(CCN(C)C)c1ccc(Br)cc1
InChIKey: KNMXVWXMVVIKDE-UHFFFAOYSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 80 nM (pChEMBL 7.099999904632568)
Descriptors: MW 666.66, ALogP 8.43, HBA 6, HBD 1, PSA 67.71, QED 0.09
Compound (SMILES): COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)C(O)(CCN(C)C)c1ccc2ccccc2c1
InChIKey: IXLSBDXBCUSOJH-UHFFFAOYSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 30 nM (pChEMBL 7.519999980926514)
Descriptors: MW 557.69, ALogP 6.92, HBA 6, HBD 1, PSA 67.71, QED 0.21
Compound (SMILES): COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)C(O)(CCN(C)C)c1ccc(Br)cc1
InChIKey: QDRJSIIKIUXVRU-UHFFFAOYSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 586.53, ALogP 6.53, HBA 6, HBD 1, PSA 67.71, QED 0.21
Compound (SMILES): COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)C(O)(CCN(C)C)c1cccc2ccccc12
InChIKey: FSIFTUHBPHJAAD-UHFFFAOYSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 1 nM (pChEMBL 9)
Descriptors: MW 557.69, ALogP 6.92, HBA 6, HBD 1, PSA 67.71, QED 0.21
Compound (SMILES): CN(C)CCC(O)(c1cccc(Br)c1)C1c2cc3ccccc3nc2OCC/C=C\CCOc2nc3ccccc3cc21
InChIKey: GHGVFXRKINKBLR-ARJAWSKDSA-N
Target: ATP synthase (PROTEIN COMPLEX), Mycobacterium tuberculosis
UniProt: P9WPV7
Assay: Inhibition of Mycobacterium tuberculosis ATP synthase
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 638.61, ALogP 7.62, HBA 6, HBD 1, PSA 67.71, QED 0.2
Compound (SMILES): COc1cccc(-c2nc3ccc(-c4ccc5nc(-c6cccc(OC)c6)[nH]c5c4)cc3[nH]2)c1
InChIKey: LFYJKLSUGLJYKG-UHFFFAOYSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P20831
Assay: Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-catalyzed supercoiling of relaxed circular pBR322 DNA incubated for 30 mins by agarose gel electrophoresis
Measurement: IC50 = 8800 nM (pChEMBL 5.059999942779541)
Descriptors: MW 446.51, ALogP 6.46, HBA 4, HBD 2, PSA 75.82, QED 0.32
Compound (SMILES): Cc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIKey: CDGVTULYNISERM-UHFFFAOYSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P20831
Assay: Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-catalyzed supercoiling of relaxed circular pBR322 DNA incubated for 30 mins by agarose gel electrophoresis
Measurement: IC50 = 5600 nM (pChEMBL 5.25)
Descriptors: MW 414.51, ALogP 7.06, HBA 2, HBD 2, PSA 57.36, QED 0.33
Compound (SMILES): c1cc(-c2nc3cc(-c4ccc5[nH]c(-c6ccncc6)nc5c4)ccc3[nH]2)ccn1
InChIKey: UHQFBTAJFNVZIV-UHFFFAOYSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P20831
Assay: Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-catalyzed supercoiling of relaxed circular pBR322 DNA incubated for 30 mins by agarose gel electrophoresis
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 388.43, ALogP 5.23, HBA 4, HBD 2, PSA 83.14, QED 0.43
Compound (SMILES): CCOP(=O)(OCC)C(CNc1ccc(NC(=S)NC(=O)[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)cc1)P(=O)(OCC)OCC
InChIKey: PVGDLKMALYJAQT-ZHVXKKCRSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 = 17750 nM (pChEMBL 4.75)
Descriptors: MW 749.89, ALogP 9.6, HBA 9, HBD 3, PSA 124.22, QED 0.11
Compound (SMILES): CCOP(=O)(OCC)C(CNc1cccc(NC(=S)NC(=O)[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)c1)P(=O)(OCC)OCC
InChIKey: WOJIGRKSFWYIRP-ZHVXKKCRSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 749.89, ALogP 9.6, HBA 9, HBD 3, PSA 124.22, QED 0.11
Compound (SMILES): CCOP(=O)(OCC)C(CNc1ccccc1NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)P(=O)(OCC)OCC
InChIKey: ZBGNDMZLUKHKNX-ZHVXKKCRSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 = 15270 nM (pChEMBL 4.820000171661377)
Descriptors: MW 749.89, ALogP 9.6, HBA 9, HBD 3, PSA 124.22, QED 0.11
Compound (SMILES): CCOP(=O)(OCC)C(CNc1cccc(NC(=S)NC(=O)[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)c1C)P(=O)(OCC)OCC
InChIKey: XCWXKJDMTXGBKJ-YWKINRNESA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 = 5980 nM (pChEMBL 5.21999979019165)
Descriptors: MW 763.92, ALogP 9.91, HBA 9, HBD 3, PSA 124.22, QED 0.11
Compound (SMILES): CCOP(=O)(OCC)C(CNc1ccc(F)cc1NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)P(=O)(OCC)OCC
InChIKey: RNGAMCVHXPGLOS-ZHVXKKCRSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 = 130 nM (pChEMBL 6.889999866485596)
Descriptors: MW 767.88, ALogP 9.74, HBA 9, HBD 3, PSA 124.22, QED 0.11
Compound (SMILES): CCOP(=O)(OCC)C(CNc1cc(C)c(C)cc1NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)P(=O)(OCC)OCC
InChIKey: CJZVOJWHNOJQBN-ZGGYHPQFSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 = 2560 nM (pChEMBL 5.590000152587891)
Descriptors: MW 777.95, ALogP 10.22, HBA 9, HBD 3, PSA 124.22, QED 0.11
Compound (SMILES): CCOP(=O)(OCC)C(CNc1cc(Cl)c(NC(=S)NC(=O)[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]23)cc1Cl)P(=O)(OCC)OCC
InChIKey: CQUMWIOBLHOWLT-ZHVXKKCRSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 > 50000 nM (pChEMBL 4.301000118255615)
Descriptors: MW 818.78, ALogP 10.91, HBA 9, HBD 3, PSA 124.22, QED 0.11
Compound (SMILES): CCOP(=O)(OCC)C(CNc1ccc(Cc2ccc(NC(=S)NC(=O)[C@]3(C)CCC[C@]4(C)c5ccc(C(C)C)cc5CC[C@@H]34)cc2)cc1)P(=O)(OCC)OCC
InChIKey: LWXBODRCDMTDPU-ZXNCLRMOSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 = 29540 nM (pChEMBL 4.53000020980835)
Descriptors: MW 840.02, ALogP 11.19, HBA 9, HBD 3, PSA 124.22, QED 0.08
Compound (SMILES): CCOP(=O)(OCC)C(CNc1ccc(Oc2ccc(NC(=S)NC(=O)[C@]3(C)CCC[C@]4(C)c5ccc(C(C)C)cc5CC[C@@H]34)cc2)cc1)P(=O)(OCC)OCC
InChIKey: WUZDMFHVJBKTFF-FXMZEGHSSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 = 40900 nM (pChEMBL 4.389999866485596)
Descriptors: MW 841.99, ALogP 11.4, HBA 10, HBD 3, PSA 133.45, QED 0.08
Compound (SMILES): CCOP(=O)(OCC)C(CNc1ccc(Sc2ccc(NC(=S)NC(=O)[C@]3(C)CCC[C@]4(C)c5ccc(C(C)C)cc5CC[C@@H]34)cc2)cc1)P(=O)(OCC)OCC
InChIKey: FEPBTCMVLWFBTR-FXMZEGHSSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 = 1010 nM (pChEMBL 6)
Descriptors: MW 858.06, ALogP 11.75, HBA 10, HBD 3, PSA 124.22, QED 0.08
Compound (SMILES): CCOP(=O)(OCC)C(CNc1ccc(S(=O)(=O)c2ccc(NC(=S)NC(=O)[C@]3(C)CCC[C@]4(C)c5ccc(C(C)C)cc5CC[C@@H]34)cc2)cc1)P(=O)(OCC)OCC
InChIKey: YLJBXTVQZJATEB-FXMZEGHSSA-N
Target: Cyclin-dependent kinase 2/cyclin E1 (PROTEIN COMPLEX), Homo sapiens
UniProt: P24941
Assay: Inhibition of human recombinant C-terminal His6-tagged full length human Cdk2/human recombinant N-terminal GST-tagged full-length Cyclin E using histone H1 substrate after 40 mins by radiometric filter binding assay
Measurement: IC50 = 650 nM (pChEMBL 6.190000057220459)
Descriptors: MW 890.06, ALogP 10.44, HBA 11, HBD 3, PSA 158.36, QED 0.08
Compound (SMILES): COc1cccc(-c2nc3ccc(-c4ccc5nc(-c6cccc(OC)c6)[nH]c5c4)cc3[nH]2)c1
InChIKey: LFYJKLSUGLJYKG-UHFFFAOYSA-N
Target: DNA gyrase subunit A/DNA gyrase subunit B (PROTEIN COMPLEX), Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
UniProt: P9WG47
Assay: Inhibition of Mycobacterium tuberculosis H37Rv DNA gyrase supercoiling activity
Measurement: IC50 = 29000 nM (pChEMBL 4.539999961853027)
Descriptors: MW 446.51, ALogP 6.46, HBA 4, HBD 2, PSA 75.82, QED 0.32
Compound (SMILES): Cc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(C)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIKey: CDGVTULYNISERM-UHFFFAOYSA-N
Target: DNA gyrase subunit A/DNA gyrase subunit B (PROTEIN COMPLEX), Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
UniProt: P9WG47
Assay: Inhibition of Mycobacterium tuberculosis H37Rv DNA gyrase supercoiling activity
Measurement: IC50 = 2000 nM (pChEMBL 5.699999809265137)
Descriptors: MW 414.51, ALogP 7.06, HBA 2, HBD 2, PSA 57.36, QED 0.33
Compound (SMILES): O=c1cc(-c2ccccc2)c2c(-c3cnc(-c4cccnc4)s3)n[nH]c2[nH]1
InChIKey: GPTXKTBHBIQZEL-UHFFFAOYSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P20831
Assay: Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assay
Measurement: IC50 = 1320 nM (pChEMBL 5.880000114440918)
Descriptors: MW 371.43, ALogP 4.1, HBA 5, HBD 2, PSA 87.32, QED 0.5
Compound (SMILES): Cc1cc(=O)[nH]c2[nH]nc(-c3cnc(-c4cccnc4)s3)c12
InChIKey: WLVDKGGIDBZCCK-UHFFFAOYSA-N
Target: DNA gyrase (PROTEIN COMPLEX), Staphylococcus aureus
UniProt: P20831
Assay: Inhibition of Staphylococcus aureus DNA gyrase ATPase activity using pBR322 DNA as substrate after 30 mins by fluorescence polarization assay
Measurement: IC50 = 3248 nM (pChEMBL 5.489999771118164)
Descriptors: MW 309.35, ALogP 2.75, HBA 5, HBD 2, PSA 87.32, QED 0.6