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: Cyclin-dependent kinases regulatory subunit 1 (SINGLE PROTEIN), Homo sapiens
UniProt: P61024
Assay: Binding affinity to human CKS1B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 586.66 nM (pChEMBL 6.230000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cyclin-dependent kinases regulatory subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P33552
Assay: Binding affinity to human CKS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6119.95 nM (pChEMBL 5.210000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cyclin-dependent kinases regulatory subunit 2 (SINGLE PROTEIN), Homo sapiens
UniProt: P33552
Assay: Binding affinity to human CKS2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7213.26 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: CLIP-associating protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z460
Assay: Binding affinity to human CLASP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 13790.48 nM (pChEMBL 4.860000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: CLIP-associating protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7Z460
Assay: Binding affinity to human CLASP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17902.97 nM (pChEMBL 4.75)
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: Chloride intracellular channel protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00299
Assay: Binding affinity to human CLIC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20889.57 nM (pChEMBL 4.679999828338623)
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: Chloride intracellular channel protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O00299
Assay: Binding affinity to human CLIC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 20889.57 nM (pChEMBL 4.679999828338623)
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: Chloride intracellular channel protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y696
Assay: Binding affinity to human CLIC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 53.36 nM (pChEMBL 7.269999980926514)
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: Chloride intracellular channel protein 4 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y696
Assay: Binding affinity to human CLIC4 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 53.36 nM (pChEMBL 7.269999980926514)
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: Clathrin interactor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14677
Assay: Binding affinity to human CLINT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 164.34 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: Clathrin interactor 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14677
Assay: Binding affinity to human CLINT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 164.34 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: Dual specificity protein kinase CLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49759
Assay: Binding affinity to human CLK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.224 nM (pChEMBL 9.649999618530273)
Descriptors: MW 503.49, ALogP 5.75, 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: Dual specificity protein kinase CLK1 (SINGLE PROTEIN), Homo sapiens
UniProt: P49759
Assay: Binding affinity to human CLK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.313 nM (pChEMBL 9.5)
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: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: Binding affinity to human CLK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4327.46 nM (pChEMBL 5.360000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Dual specificity protein kinase CLK2 (SINGLE PROTEIN), Homo sapiens
UniProt: P49760
Assay: Binding affinity to human CLK2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6690.08 nM (pChEMBL 5.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 1908016.66 nM (pChEMBL 2.7200000286102295)
Descriptors: MW 503.49, ALogP 5.75, 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: Methylosome subunit pICln (SINGLE PROTEIN), Homo sapiens
UniProt: P54105
Assay: Binding affinity to human CLNS1A incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8354.02 nM (pChEMBL 5.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Methylosome subunit pICln (SINGLE PROTEIN), Homo sapiens
UniProt: P54105
Assay: Binding affinity to human CLNS1A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8354.02 nM (pChEMBL 5.079999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: ATP-dependent Clp protease proteolytic subunit, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q16740
Assay: Binding affinity to human CLPP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17760.34 nM (pChEMBL 4.75)
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: ATP-dependent Clp protease proteolytic subunit, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q16740
Assay: Binding affinity to human CLPP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17760.34 nM (pChEMBL 4.75)
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: Putative lipid scramblase CLPTM1 (SINGLE PROTEIN), Homo sapiens
UniProt: O96005
Assay: Binding affinity to human CLPTM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 27.49 nM (pChEMBL 7.559999942779541)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Putative lipid scramblase CLPTM1 (SINGLE PROTEIN), Homo sapiens
UniProt: O96005
Assay: Binding affinity to human CLPTM1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 27.49 nM (pChEMBL 7.559999942779541)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Claspin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAW4
Assay: Binding affinity to human CLSPN incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 50.82 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Claspin (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAW4
Assay: Binding affinity to human CLSPN incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 93.85 nM (pChEMBL 7.03000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 65.92 nM (pChEMBL 7.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 65.92 nM (pChEMBL 7.179999828338623)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Clathrin light chain B (SINGLE PROTEIN), Homo sapiens
UniProt: P09497
Assay: Binding affinity to human CLTB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1071.78 nM (pChEMBL 5.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Clathrin light chain B (SINGLE PROTEIN), Homo sapiens
UniProt: P09497
Assay: Binding affinity to human CLTB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1071.78 nM (pChEMBL 5.96999979019165)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 21.35 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: 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 = 21.35 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: 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 = 52.35 nM (pChEMBL 7.28000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 56.09 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: UMP-CMP kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P30085
Assay: Binding affinity to human CMPK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 307291.34 nM (pChEMBL 3.509999990463257)
Descriptors: MW 503.49, ALogP 5.75, 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: CCHC-type zinc finger nucleic acid binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: P62633
Assay: Binding affinity to human CNBP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 137.99 nM (pChEMBL 6.860000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: CCHC-type zinc finger nucleic acid binding protein (SINGLE PROTEIN), Homo sapiens
UniProt: P62633
Assay: Binding affinity to human CNBP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 137.99 nM (pChEMBL 6.860000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytosolic non-specific dipeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96KP4
Assay: Binding affinity to human CNDP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 71.25 nM (pChEMBL 7.150000095367432)
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: Cytosolic non-specific dipeptidase (SINGLE PROTEIN), Homo sapiens
UniProt: Q96KP4
Assay: Binding affinity to human CNDP2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 71.25 nM (pChEMBL 7.150000095367432)
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: 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 = 79212.3 nM (pChEMBL 4.099999904632568)
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: 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 = 79212.3 nM (pChEMBL 4.099999904632568)
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: 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 = 20.31 nM (pChEMBL 7.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, 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: 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 = 20.31 nM (pChEMBL 7.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, 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: 2',3'-cyclic-nucleotide 3'-phosphodiesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P09543
Assay: Binding affinity to human CNP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 75249.92 nM (pChEMBL 4.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 2',3'-cyclic-nucleotide 3'-phosphodiesterase (SINGLE PROTEIN), Homo sapiens
UniProt: P09543
Assay: Binding affinity to human CNP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 75249.92 nM (pChEMBL 4.119999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein canopy homolog 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2B0
Assay: Binding affinity to human CNPY2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 15.6 nM (pChEMBL 7.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein canopy homolog 2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y2B0
Assay: Binding affinity to human CNPY2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 24.84 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: Protein canopy homolog 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BT09
Assay: Binding affinity to human CNPY3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2507.82 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein canopy homolog 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BT09
Assay: Binding affinity to human CNPY3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2507.82 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Contactin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12860
Assay: Binding affinity to human CNTN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 37.92 nM (pChEMBL 7.420000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Contactin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q12860
Assay: Binding affinity to human CNTN1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 84.65 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: Bifunctional coenzyme A synthase (SINGLE PROTEIN), Homo sapiens
UniProt: Q13057
Assay: Binding affinity to human COASY incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7170.45 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: Bifunctional coenzyme A synthase (SINGLE PROTEIN), Homo sapiens
UniProt: Q13057
Assay: Binding affinity to human COASY incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7274.66 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: 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 = 69833.9 nM (pChEMBL 4.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 69833.9 nM (pChEMBL 4.159999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Conserved oligomeric Golgi complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96JB2
Assay: Binding affinity to human COG3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 20472.83 nM (pChEMBL 4.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, 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: Conserved oligomeric Golgi complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96JB2
Assay: Binding affinity to human COG3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 20472.83 nM (pChEMBL 4.690000057220459)
Descriptors: MW 503.49, ALogP 5.75, 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: 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 = 22 nM (pChEMBL 7.659999847412109)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 22.17 nM (pChEMBL 7.650000095367432)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 138759.2 nM (pChEMBL 3.859999895095825)
Descriptors: MW 503.49, ALogP 5.75, 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: 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 = 3708.76 nM (pChEMBL 5.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, 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: 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 = 3708.76 nM (pChEMBL 5.429999828338623)
Descriptors: MW 503.49, ALogP 5.75, 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: 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 = 819.47 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 819.47 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Collagen alpha-1(XIV) chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q05707
Assay: Binding affinity to human COL14A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 0.577 nM (pChEMBL 9.239999771118164)
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: Collagen alpha-1(XIV) chain (SINGLE PROTEIN), Homo sapiens
UniProt: Q05707
Assay: Binding affinity to human COL14A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 0.577 nM (pChEMBL 9.239999771118164)
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: Procollagen galactosyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NBJ5
Assay: Binding affinity to human COLGALT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7700.03 nM (pChEMBL 5.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Procollagen galactosyltransferase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NBJ5
Assay: Binding affinity to human COLGALT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7700.03 nM (pChEMBL 5.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 169.26 nM (pChEMBL 6.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 169.26 nM (pChEMBL 6.769999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 652.02 nM (pChEMBL 6.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 652.02 nM (pChEMBL 6.190000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 927.78 nM (pChEMBL 6.03000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 927.78 nM (pChEMBL 6.03000020980835)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 290.7 nM (pChEMBL 6.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 290.7 nM (pChEMBL 6.539999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 126.19 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 126.19 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 2745.29 nM (pChEMBL 5.559999942779541)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 2745.29 nM (pChEMBL 5.559999942779541)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 50.98 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 50.98 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 79394.07 nM (pChEMBL 4.099999904632568)
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: 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 = 79394.07 nM (pChEMBL 4.099999904632568)
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: COP9 signalosome complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNS2
Assay: Binding affinity to human COPS3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 109.2 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: COP9 signalosome complex subunit 3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UNS2
Assay: Binding affinity to human COPS3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 109.2 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: COP9 signalosome complex subunit 5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92905
Assay: Binding affinity to human COPS5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 578375.68 nM (pChEMBL 3.240000009536743)
Descriptors: MW 503.49, ALogP 5.75, 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: COP9 signalosome complex subunit 6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7L5N1
Assay: Binding affinity to human COPS6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1029419.95 nM (pChEMBL 2.990000009536743)
Descriptors: MW 503.49, ALogP 5.75, 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: COP9 signalosome complex subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99627
Assay: Binding affinity to human COPS8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1543.19 nM (pChEMBL 5.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: COP9 signalosome complex subunit 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q99627
Assay: Binding affinity to human COPS8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1543.57 nM (pChEMBL 5.809999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 50.69 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 50.69 nM (pChEMBL 7.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Coronin-1C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9ULV4
Assay: Binding affinity to human CORO1C incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 14530.51 nM (pChEMBL 4.840000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Coronin-1C (SINGLE PROTEIN), Homo sapiens
UniProt: Q9ULV4
Assay: Binding affinity to human CORO1C incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14530.51 nM (pChEMBL 4.840000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Heme A synthase COX15 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZN9
Assay: Binding affinity to human COX15 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 31403.35 nM (pChEMBL 4.5)
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: Heme A synthase COX15 (SINGLE PROTEIN), Homo sapiens
UniProt: Q7KZN9
Assay: Binding affinity to human COX15 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 31403.35 nM (pChEMBL 4.5)
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: Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P13073
Assay: Binding affinity to human COX4I1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 443.2 nM (pChEMBL 6.349999904632568)
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: Cytochrome c oxidase subunit 4 isoform 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P13073
Assay: Binding affinity to human COX4I1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 443.2 nM (pChEMBL 6.349999904632568)
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: 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 = 3245556.27 nM (pChEMBL 2.490000009536743)
Descriptors: MW 503.49, ALogP 5.75, 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: 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 = 13403.77 nM (pChEMBL 4.869999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: 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 = 14971.03 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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome c oxidase subunit 6A1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P12074
Assay: Binding affinity to human COX6A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8.895 nM (pChEMBL 8.050000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome c oxidase subunit 6A1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P12074
Assay: Binding affinity to human COX6A1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 8.895 nM (pChEMBL 8.050000190734863)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome c oxidase subunit 6B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P14854
Assay: Binding affinity to human COX6B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 34879.7 nM (pChEMBL 4.460000038146973)
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: Cytochrome c oxidase subunit 6B1 (SINGLE PROTEIN), Homo sapiens
UniProt: P14854
Assay: Binding affinity to human COX6B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 36453.57 nM (pChEMBL 4.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 11.97 nM (pChEMBL 7.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 11.97 nM (pChEMBL 7.920000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 187.7 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: 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 = 187.7 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: 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 = 348.6 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: 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 = 348.6 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: Cleavage and polyadenylation specificity factor subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N684
Assay: Binding affinity to human CPSF7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1647.83 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: Cleavage and polyadenylation specificity factor subunit 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N684
Assay: Binding affinity to human CPSF7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1647.83 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: 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 = 67.63 nM (pChEMBL 7.170000076293945)
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)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-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 = 67.63 nM (pChEMBL 7.170000076293945)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32