lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Zinc transporter ZIP3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRY0
Assay: Binding affinity to human SLC39A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 31.67 nM (pChEMBL 7.5)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Zinc transporter ZIP3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRY0
Assay: Binding affinity to human SLC39A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 33.26 nM (pChEMBL 7.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Zinc transporter SLC39A7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92504
Assay: Binding affinity to human SLC39A7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13.64 nM (pChEMBL 7.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Zinc transporter SLC39A7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92504
Assay: Binding affinity to human SLC39A7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 13.64 nM (pChEMBL 7.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Amino acid transporter heavy chain SLC3A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P08195
Assay: Binding affinity to human SLC3A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 346.92 nM (pChEMBL 6.460000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Amino acid transporter heavy chain SLC3A2 (SINGLE PROTEIN), Homo sapiens
UniProt: P08195
Assay: Binding affinity to human SLC3A2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 362.3 nM (pChEMBL 6.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Equilibrative nucleobase transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NBI5
Assay: Binding affinity to human SLC43A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 33875.77 nM (pChEMBL 4.46999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Equilibrative nucleobase transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NBI5
Assay: Binding affinity to human SLC43A3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 33875.77 nM (pChEMBL 4.46999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Choline transporter-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8WWI5
Assay: Binding affinity to human SLC44A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17239394.07 nM (pChEMBL 1.7599999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sodium/glucose cotransporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P13866
Assay: Binding affinity to human SLC5A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 29.91 nM (pChEMBL 7.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sodium/glucose cotransporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P13866
Assay: Binding affinity to human SLC5A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 54.57 nM (pChEMBL 7.260000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sodium-dependent multivitamin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y289
Assay: Binding affinity to human SLC5A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 533.74 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sodium-dependent multivitamin transporter (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y289
Assay: Binding affinity to human SLC5A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 533.74 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent taurine transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31641
Assay: Binding affinity to human SLC6A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 85.69 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sodium- and chloride-dependent taurine transporter (SINGLE PROTEIN), Homo sapiens
UniProt: P31641
Assay: Binding affinity to human SLC6A6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 85.69 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: High affinity cationic amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30825
Assay: Binding affinity to human SLC7A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1675.04 nM (pChEMBL 5.78000020980835)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: High affinity cationic amino acid transporter 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P30825
Assay: Binding affinity to human SLC7A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1675.04 nM (pChEMBL 5.78000020980835)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Large neutral amino acids transporter small subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q01650
Assay: Binding affinity to human SLC7A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1189.41 nM (pChEMBL 5.920000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Large neutral amino acids transporter small subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q01650
Assay: Binding affinity to human SLC7A5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1189.41 nM (pChEMBL 5.920000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SRA stem-loop-interacting RNA-binding protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZT3
Assay: Binding affinity to human SLIRP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.214 nM (pChEMBL 9.670000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SRA stem-loop-interacting RNA-binding protein, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9GZT3
Assay: Binding affinity to human SLIRP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.214 nM (pChEMBL 9.670000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: Binding affinity to human SLK incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 166.45 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: STE20-like serine/threonine-protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H2G2
Assay: Binding affinity to human SLK incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 186.87 nM (pChEMBL 6.730000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mothers against decapentaplegic homolog 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15796
Assay: Binding affinity to human SMAD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 32.95 nM (pChEMBL 7.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Mothers against decapentaplegic homolog 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15796
Assay: Binding affinity to human SMAD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 32.95 nM (pChEMBL 7.480000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O60264
Assay: Binding affinity to human SMARCA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 145.28 nM (pChEMBL 6.840000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A member 5 (SINGLE PROTEIN), Homo sapiens
UniProt: O60264
Assay: Binding affinity to human SMARCA5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 145.28 nM (pChEMBL 6.840000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12824
Assay: Binding affinity to human SMARCB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.241 nM (pChEMBL 8.029999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12824
Assay: Binding affinity to human SMARCB1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.241 nM (pChEMBL 8.029999732971191)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF complex subunit SMARCC1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92922
Assay: Binding affinity to human SMARCC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 538.11 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF complex subunit SMARCC1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92922
Assay: Binding affinity to human SMARCC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 538.11 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF complex subunit SMARCC2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TAQ2
Assay: Binding affinity to human SMARCC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.798 nM (pChEMBL 8.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF complex subunit SMARCC2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8TAQ2
Assay: Binding affinity to human SMARCC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.798 nM (pChEMBL 8.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily E member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q969G3
Assay: Binding affinity to human SMARCE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 112 nM (pChEMBL 6.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily E member 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q969G3
Assay: Binding affinity to human SMARCE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 112 nM (pChEMBL 6.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Structural maintenance of chromosomes protein 1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14683
Assay: Binding affinity to human SMC1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.243 nM (pChEMBL 8.90999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Structural maintenance of chromosomes protein 1A (SINGLE PROTEIN), Homo sapiens
UniProt: Q14683
Assay: Binding affinity to human SMC1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.243 nM (pChEMBL 8.90999984741211)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Structural maintenance of chromosomes protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95347
Assay: Binding affinity to human SMC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 11.26 nM (pChEMBL 7.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Structural maintenance of chromosomes protein 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O95347
Assay: Binding affinity to human SMC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11.26 nM (pChEMBL 7.949999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Structural maintenance of chromosomes protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UQE7
Assay: Binding affinity to human SMC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 430.92 nM (pChEMBL 6.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Structural maintenance of chromosomes protein 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UQE7
Assay: Binding affinity to human SMC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 430.92 nM (pChEMBL 6.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Structural maintenance of chromosomes protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NTJ3
Assay: Binding affinity to human SMC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7293.69 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Structural maintenance of chromosomes protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NTJ3
Assay: Binding affinity to human SMC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7293.69 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase SMG1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96Q15
Assay: Binding affinity to human SMG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 116.92 nM (pChEMBL 6.929999828338623)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase SMG1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96Q15
Assay: Binding affinity to human SMG1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 116.92 nM (pChEMBL 6.929999828338623)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sphingomyelin phosphodiesterase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXE4
Assay: Binding affinity to human SMPD4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 89.56 nM (pChEMBL 7.050000190734863)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sphingomyelin phosphodiesterase 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NXE4
Assay: Binding affinity to human SMPD4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 89.56 nM (pChEMBL 7.050000190734863)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Synaptosomal-associated protein 23 (SINGLE PROTEIN), Homo sapiens
UniProt: O00161
Assay: Binding affinity to human SNAP23 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 386.1 nM (pChEMBL 6.409999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Synaptosomal-associated protein 23 (SINGLE PROTEIN), Homo sapiens
UniProt: O00161
Assay: Binding affinity to human SNAP23 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 416.12 nM (pChEMBL 6.380000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Synaptosomal-associated protein 29 (SINGLE PROTEIN), Homo sapiens
UniProt: O95721
Assay: Binding affinity to human SNAP29 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21257.02 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Synaptosomal-associated protein 29 (SINGLE PROTEIN), Homo sapiens
UniProt: O95721
Assay: Binding affinity to human SNAP29 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21257.02 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Staphylococcal nuclease domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZF4
Assay: Binding affinity to human SND1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 569.82 nM (pChEMBL 6.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Staphylococcal nuclease domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZF4
Assay: Binding affinity to human SND1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 569.82 nM (pChEMBL 6.239999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: U5 small nuclear ribonucleoprotein 200 kDa helicase (SINGLE PROTEIN), Homo sapiens
UniProt: O75643
Assay: Binding affinity to human SNRNP200 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 538.65 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: U5 small nuclear ribonucleoprotein 200 kDa helicase (SINGLE PROTEIN), Homo sapiens
UniProt: O75643
Assay: Binding affinity to human SNRNP200 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 538.65 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: U1 small nuclear ribonucleoprotein A (SINGLE PROTEIN), Homo sapiens
UniProt: P09012
Assay: Binding affinity to human SNRPA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 35.61 nM (pChEMBL 7.449999809265137)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: U1 small nuclear ribonucleoprotein A (SINGLE PROTEIN), Homo sapiens
UniProt: P09012
Assay: Binding affinity to human SNRPA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 35.61 nM (pChEMBL 7.449999809265137)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: U2 small nuclear ribonucleoprotein A' (SINGLE PROTEIN), Homo sapiens
UniProt: P09661
Assay: Binding affinity to human SNRPA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 108.35 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: U2 small nuclear ribonucleoprotein A' (SINGLE PROTEIN), Homo sapiens
UniProt: P09661
Assay: Binding affinity to human SNRPA1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 108.35 nM (pChEMBL 6.960000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: U2 small nuclear ribonucleoprotein B'' (SINGLE PROTEIN), Homo sapiens
UniProt: P08579
Assay: Binding affinity to human SNRPB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 94.7 nM (pChEMBL 7.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: U2 small nuclear ribonucleoprotein B'' (SINGLE PROTEIN), Homo sapiens
UniProt: P08579
Assay: Binding affinity to human SNRPB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 94.7 nM (pChEMBL 7.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Small nuclear ribonucleoprotein Sm D1 (SINGLE PROTEIN), Homo sapiens
UniProt: P62314
Assay: Binding affinity to human SNRPD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 21.61 nM (pChEMBL 7.670000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Small nuclear ribonucleoprotein Sm D1 (SINGLE PROTEIN), Homo sapiens
UniProt: P62314
Assay: Binding affinity to human SNRPD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 21.61 nM (pChEMBL 7.670000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Small nuclear ribonucleoprotein Sm D2 (SINGLE PROTEIN), Homo sapiens
UniProt: P62316
Assay: Binding affinity to human SNRPD2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9774498.56 nM (pChEMBL 2.009999990463257)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Small nuclear ribonucleoprotein Sm D3 (SINGLE PROTEIN), Homo sapiens
UniProt: P62318
Assay: Binding affinity to human SNRPD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4.3 nM (pChEMBL 8.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Small nuclear ribonucleoprotein Sm D3 (SINGLE PROTEIN), Homo sapiens
UniProt: P62318
Assay: Binding affinity to human SNRPD3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4.3 nM (pChEMBL 8.369999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Small nuclear ribonucleoprotein E (SINGLE PROTEIN), Homo sapiens
UniProt: P62304
Assay: Binding affinity to human SNRPE incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7915.52 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Small nuclear ribonucleoprotein E (SINGLE PROTEIN), Homo sapiens
UniProt: P62304
Assay: Binding affinity to human SNRPE incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7915.52 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorting nexin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13596
Assay: Binding affinity to human SNX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.67 nM (pChEMBL 7.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorting nexin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13596
Assay: Binding affinity to human SNX1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.67 nM (pChEMBL 7.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorting nexin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: O60493
Assay: Binding affinity to human SNX3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 44.84 nM (pChEMBL 7.349999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorting nexin-3 (SINGLE PROTEIN), Homo sapiens
UniProt: O60493
Assay: Binding affinity to human SNX3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 44.84 nM (pChEMBL 7.349999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sterol O-acyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P35610
Assay: Binding affinity to human SOAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7060 nM (pChEMBL 5.150000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sterol O-acyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P35610
Assay: Binding affinity to human SOAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7060 nM (pChEMBL 5.150000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Superoxide dismutase [Cu-Zn] (SINGLE PROTEIN), Homo sapiens
UniProt: P00441
Assay: Binding affinity to human SOD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 16280.26 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Superoxide dismutase [Cu-Zn] (SINGLE PROTEIN), Homo sapiens
UniProt: P00441
Assay: Binding affinity to human SOD1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 16280.26 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Microtubule cross-linking factor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5TF21
Assay: Binding affinity to human SOGA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.265 nM (pChEMBL 8.279999732971191)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Microtubule cross-linking factor 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q5TF21
Assay: Binding affinity to human SOGA3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.265 nM (pChEMBL 8.279999732971191)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorbin and SH3 domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BX66
Assay: Binding affinity to human SORBS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17339.57 nM (pChEMBL 4.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorbin and SH3 domain-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BX66
Assay: Binding affinity to human SORBS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17339.57 nM (pChEMBL 4.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorbitol dehydrogenase (SINGLE PROTEIN), Homo sapiens
UniProt: Q00796
Assay: Binding affinity to human SORD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56.5 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorbitol dehydrogenase (SINGLE PROTEIN), Homo sapiens
UniProt: Q00796
Assay: Binding affinity to human SORD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 56.5 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sperm-associated antigen 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96R06
Assay: Binding affinity to human SPAG5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1.826 nM (pChEMBL 8.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sperm-associated antigen 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96R06
Assay: Binding affinity to human SPAG5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1.826 nM (pChEMBL 8.739999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Signal peptidase complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15005
Assay: Binding affinity to human SPCS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2987.14 nM (pChEMBL 5.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Signal peptidase complex subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q15005
Assay: Binding affinity to human SPCS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2987.14 nM (pChEMBL 5.53000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Signal peptidase complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P61009
Assay: Binding affinity to human SPCS3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 85312.05 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Signal peptidase complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: P61009
Assay: Binding affinity to human SPCS3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 86721.23 nM (pChEMBL 4.059999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spatacsin (SINGLE PROTEIN), Homo sapiens
UniProt: Q96JI7
Assay: Binding affinity to human SPG11 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 692.55 nM (pChEMBL 6.159999847412109)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spatacsin (SINGLE PROTEIN), Homo sapiens
UniProt: Q96JI7
Assay: Binding affinity to human SPG11 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 961.2 nM (pChEMBL 6.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Kunitz-type protease inhibitor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43291
Assay: Binding affinity to human SPINT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.57 nM (pChEMBL 7.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Kunitz-type protease inhibitor 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O43291
Assay: Binding affinity to human SPINT2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.57 nM (pChEMBL 7.75)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spectrin alpha chain, non-erythrocytic 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13813
Assay: Binding affinity to human SPTAN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 120.35 nM (pChEMBL 6.920000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spectrin alpha chain, non-erythrocytic 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13813
Assay: Binding affinity to human SPTAN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 120.35 nM (pChEMBL 6.920000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spectrin beta chain, non-erythrocytic 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q01082
Assay: Binding affinity to human SPTBN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 90.81 nM (pChEMBL 7.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spectrin beta chain, non-erythrocytic 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q01082
Assay: Binding affinity to human SPTBN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 90.81 nM (pChEMBL 7.039999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine palmitoyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15269
Assay: Binding affinity to human SPTLC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 106.94 nM (pChEMBL 6.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine palmitoyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O15269
Assay: Binding affinity to human SPTLC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 106.94 nM (pChEMBL 6.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine palmitoyltransferase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15270
Assay: Binding affinity to human SPTLC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 24.6 nM (pChEMBL 7.610000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine palmitoyltransferase 2 (SINGLE PROTEIN), Homo sapiens
UniProt: O15270
Assay: Binding affinity to human SPTLC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 26.74 nM (pChEMBL 7.570000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sulfide:quinone oxidoreductase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6N5
Assay: Binding affinity to human SQRDL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5785.6 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sulfide:quinone oxidoreductase, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6N5
Assay: Binding affinity to human SQRDL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5785.6 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sequestosome-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13501
Assay: Binding affinity to human SQSTM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 241.67 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sequestosome-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q13501
Assay: Binding affinity to human SQSTM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 257.65 nM (pChEMBL 6.590000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: Binding affinity to human SRC incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1331.62 nM (pChEMBL 5.880000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Proto-oncogene tyrosine-protein kinase Src (SINGLE PROTEIN), Homo sapiens
UniProt: P12931
Assay: Binding affinity to human SRC incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3429.72 nM (pChEMBL 5.460000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorcin (SINGLE PROTEIN), Homo sapiens
UniProt: P30626
Assay: Binding affinity to human SRI incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15903.16 nM (pChEMBL 4.800000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Sorcin (SINGLE PROTEIN), Homo sapiens
UniProt: P30626
Assay: Binding affinity to human SRI incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 15903.16 nM (pChEMBL 4.800000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spermidine synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P19623
Assay: Binding affinity to human SRM incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 210.7 nM (pChEMBL 6.679999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Spermidine synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P19623
Assay: Binding affinity to human SRM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 210.7 nM (pChEMBL 6.679999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Signal recognition particle 14 kDa protein (SINGLE PROTEIN), Homo sapiens
UniProt: P37108
Assay: Binding affinity to human SRP14 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3593.34 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Signal recognition particle 14 kDa protein (SINGLE PROTEIN), Homo sapiens
UniProt: P37108
Assay: Binding affinity to human SRP14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3593.34 nM (pChEMBL 5.449999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32