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: Serine/threonine-protein kinase ULK3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6PHR2
Assay: Binding affinity to human ULK3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 78.44 nM (pChEMBL 7.110000133514404)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Uridine 5'-monophosphate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P11172
Assay: Binding affinity to human UMPS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 79.06 nM (pChEMBL 7.099999904632568)
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: Uridine 5'-monophosphate synthase (SINGLE PROTEIN), Homo sapiens
UniProt: P11172
Assay: Binding affinity to human UMPS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 79.06 nM (pChEMBL 7.099999904632568)
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: Protein unc-119 homolog A (SINGLE PROTEIN), Homo sapiens
UniProt: Q13432
Assay: Binding affinity to human UNC119 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 34704.14 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: Protein unc-119 homolog A (SINGLE PROTEIN), Homo sapiens
UniProt: Q13432
Assay: Binding affinity to human UNC119 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 47813.04 nM (pChEMBL 4.320000171661377)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein unc-93 homolog B1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H1C4
Assay: Binding affinity to human UNC93B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 136.24 nM (pChEMBL 6.869999885559082)
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: Protein unc-93 homolog B1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H1C4
Assay: Binding affinity to human UNC93B1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 169.65 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: Regulator of nonsense transcripts 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92900
Assay: Binding affinity to human UPF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 24.29 nM (pChEMBL 7.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Regulator of nonsense transcripts 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q92900
Assay: Binding affinity to human UPF1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 24.29 nM (pChEMBL 7.619999885559082)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome b-c1 complex subunit 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P31930
Assay: Binding affinity to human UQCRC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.13 nM (pChEMBL 8.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome b-c1 complex subunit 1, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P31930
Assay: Binding affinity to human UQCRC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.13 nM (pChEMBL 8.289999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome b-c1 complex subunit 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P22695
Assay: Binding affinity to human UQCRC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 6.162 nM (pChEMBL 8.210000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Cytochrome b-c1 complex subunit 2, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: P22695
Assay: Binding affinity to human UQCRC2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 6.162 nM (pChEMBL 8.210000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Unhealthy ribosome biogenesis protein 2 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q14146
Assay: Binding affinity to human URB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2118.04 nM (pChEMBL 5.670000076293945)
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: Unhealthy ribosome biogenesis protein 2 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q14146
Assay: Binding affinity to human URB2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2118.04 nM (pChEMBL 5.670000076293945)
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: Uroporphyrinogen decarboxylase (SINGLE PROTEIN), Homo sapiens
UniProt: P06132
Assay: Binding affinity to human UROD incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 96095.84 nM (pChEMBL 4.019999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Uroporphyrinogen decarboxylase (SINGLE PROTEIN), Homo sapiens
UniProt: P06132
Assay: Binding affinity to human UROD incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 117250.27 nM (pChEMBL 3.930000066757202)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vesicle transport protein USE1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NZ43
Assay: Binding affinity to human USE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17368.45 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: Vesicle transport protein USE1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NZ43
Assay: Binding affinity to human USE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17368.45 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: ATP synthase F(0) complex subunit k, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q96IX5
Assay: Binding affinity to human USMG5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 81.18 nM (pChEMBL 7.090000152587891)
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: ATP synthase F(0) complex subunit k, mitochondrial (SINGLE PROTEIN), Homo sapiens
UniProt: Q96IX5
Assay: Binding affinity to human USMG5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 81.18 nM (pChEMBL 7.090000152587891)
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: General vesicular transport factor p115 (SINGLE PROTEIN), Homo sapiens
UniProt: O60763
Assay: Binding affinity to human USO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 22198.23 nM (pChEMBL 4.650000095367432)
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: General vesicular transport factor p115 (SINGLE PROTEIN), Homo sapiens
UniProt: O60763
Assay: Binding affinity to human USO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 22198.23 nM (pChEMBL 4.650000095367432)
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: Ubiquitin carboxyl-terminal hydrolase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14694
Assay: Binding affinity to human USP10 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 38.74 nM (pChEMBL 7.409999847412109)
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: Ubiquitin carboxyl-terminal hydrolase 10 (SINGLE PROTEIN), Homo sapiens
UniProt: Q14694
Assay: Binding affinity to human USP10 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 38.74 nM (pChEMBL 7.409999847412109)
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: Ubiquitin carboxyl-terminal hydrolase 14 (SINGLE PROTEIN), Homo sapiens
UniProt: P54578
Assay: Binding affinity to human USP14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3652815.81 nM (pChEMBL 2.440000057220459)
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: Ubiquitin carboxyl-terminal hydrolase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P45974
Assay: Binding affinity to human USP5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 9.876 nM (pChEMBL 8.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ubiquitin carboxyl-terminal hydrolase 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P45974
Assay: Binding affinity to human USP5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 9.876 nM (pChEMBL 8.010000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ubiquitin carboxyl-terminal hydrolase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q93009
Assay: Binding affinity to human USP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 49.04 nM (pChEMBL 7.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Ubiquitin carboxyl-terminal hydrolase 7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q93009
Assay: Binding affinity to human USP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 49.04 nM (pChEMBL 7.309999942779541)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: U3 small nucleolar RNA-associated protein 18 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5J1
Assay: Binding affinity to human UTP18 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 30.24 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: U3 small nucleolar RNA-associated protein 18 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y5J1
Assay: Binding affinity to human UTP18 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 30.24 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: Small subunit processome component 20 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: O75691
Assay: Binding affinity to human UTP20 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 14.18 nM (pChEMBL 7.849999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Small subunit processome component 20 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: O75691
Assay: Binding affinity to human UTP20 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14.18 nM (pChEMBL 7.849999904632568)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein VAC14 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q08AM6
Assay: Binding affinity to human VAC14 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3667.29 nM (pChEMBL 5.440000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein VAC14 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q08AM6
Assay: Binding affinity to human VAC14 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3836.42 nM (pChEMBL 5.420000076293945)
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: Vesicle-associated membrane protein 7 (SINGLE PROTEIN), Homo sapiens
UniProt: P51809
Assay: Binding affinity to human VAMP7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 102150.72 nM (pChEMBL 3.990000009536743)
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: Vesicle-associated membrane protein 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BV40
Assay: Binding affinity to human VAMP8 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4589.47 nM (pChEMBL 5.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vesicle-associated membrane protein 8 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BV40
Assay: Binding affinity to human VAMP8 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4589.47 nM (pChEMBL 5.340000152587891)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vesicle-associated membrane protein-associated protein A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P0L0
Assay: Binding affinity to human VAPA incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 435.12 nM (pChEMBL 6.360000133514404)
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: Vesicle-associated membrane protein-associated protein A (SINGLE PROTEIN), Homo sapiens
UniProt: Q9P0L0
Assay: Binding affinity to human VAPA incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 435.12 nM (pChEMBL 6.360000133514404)
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: Vesicle-associated membrane protein-associated protein B/C (SINGLE PROTEIN), Homo sapiens
UniProt: O95292
Assay: Binding affinity to human VAPB incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5.509 nM (pChEMBL 8.260000228881836)
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: Vesicle-associated membrane protein-associated protein B/C (SINGLE PROTEIN), Homo sapiens
UniProt: O95292
Assay: Binding affinity to human VAPB incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5.509 nM (pChEMBL 8.260000228881836)
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: Valine--tRNA ligase (SINGLE PROTEIN), Homo sapiens
UniProt: P26640
Assay: Binding affinity to human VARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 19.46 nM (pChEMBL 7.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Valine--tRNA ligase (SINGLE PROTEIN), Homo sapiens
UniProt: P26640
Assay: Binding affinity to human VARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 19.46 nM (pChEMBL 7.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vasodilator-stimulated phosphoprotein (SINGLE PROTEIN), Homo sapiens
UniProt: P50552
Assay: Binding affinity to human VASP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 87.65 nM (pChEMBL 7.059999942779541)
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: Vasodilator-stimulated phosphoprotein (SINGLE PROTEIN), Homo sapiens
UniProt: P50552
Assay: Binding affinity to human VASP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 87.65 nM (pChEMBL 7.059999942779541)
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: Synaptic vesicle membrane protein VAT-1 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q99536
Assay: Binding affinity to human VAT1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 145003.87 nM (pChEMBL 3.8399999141693115)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vinculin (SINGLE PROTEIN), Homo sapiens
UniProt: P18206
Assay: Binding affinity to human VCL incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 68079.03 nM (pChEMBL 4.170000076293945)
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: Vinculin (SINGLE PROTEIN), Homo sapiens
UniProt: P18206
Assay: Binding affinity to human VCL incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 68079.03 nM (pChEMBL 4.170000076293945)
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: Transitional endoplasmic reticulum ATPase (SINGLE PROTEIN), Homo sapiens
UniProt: P55072
Assay: Binding affinity to human VCP incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 70.61 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: Transitional endoplasmic reticulum ATPase (SINGLE PROTEIN), Homo sapiens
UniProt: P55072
Assay: Binding affinity to human VCP incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 70.61 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: Non-selective voltage-gated ion channel VDAC1 (SINGLE PROTEIN), Homo sapiens
UniProt: P21796
Assay: Binding affinity to human VDAC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 55.92 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Non-selective voltage-gated ion channel VDAC1 (SINGLE PROTEIN), Homo sapiens
UniProt: P21796
Assay: Binding affinity to human VDAC1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 55.92 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Non-selective voltage-gated ion channel VDAC3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y277
Assay: Binding affinity to human VDAC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 23.32 nM (pChEMBL 7.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Non-selective voltage-gated ion channel VDAC3 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y277
Assay: Binding affinity to human VDAC3 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 23.32 nM (pChEMBL 7.630000114440918)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Neurosecretory protein VGF (SINGLE PROTEIN), Homo sapiens
UniProt: O15240
Assay: Binding affinity to human VGF incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2660.3 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Neurosecretory protein VGF (SINGLE PROTEIN), Homo sapiens
UniProt: O15240
Assay: Binding affinity to human VGF incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2660.3 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Villin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P09327
Assay: Binding affinity to human VIL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 62748.38 nM (pChEMBL 4.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Villin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: P09327
Assay: Binding affinity to human VIL1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 63827.26 nM (pChEMBL 4.199999809265137)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vimentin (SINGLE PROTEIN), Homo sapiens
UniProt: P08670
Assay: Binding affinity to human VIM incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1004.68 nM (pChEMBL 6)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vimentin (SINGLE PROTEIN), Homo sapiens
UniProt: P08670
Assay: Binding affinity to human VIM incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1621.55 nM (pChEMBL 5.789999961853027)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vitamin K epoxide reductase complex subunit 1-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N0U8
Assay: Binding affinity to human VKORC1L1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2509.8 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: Vitamin K epoxide reductase complex subunit 1-like protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8N0U8
Assay: Binding affinity to human VKORC1L1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2509.8 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: Vacuolar ATPase assembly integral membrane protein VMA21 (SINGLE PROTEIN), Homo sapiens
UniProt: Q3ZAQ7
Assay: Binding affinity to human VMA21 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2770.21 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: Vacuolar ATPase assembly integral membrane protein VMA21 (SINGLE PROTEIN), Homo sapiens
UniProt: Q3ZAQ7
Assay: Binding affinity to human VMA21 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2770.21 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: Vacuole membrane protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GC9
Assay: Binding affinity to human VMP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1931.4 nM (pChEMBL 5.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vacuole membrane protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96GC9
Assay: Binding affinity to human VMP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1931.4 nM (pChEMBL 5.710000038146973)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vacuolar protein sorting-associated protein 26A (SINGLE PROTEIN), Homo sapiens
UniProt: O75436
Assay: Binding affinity to human VPS26A incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 14239304.48 nM (pChEMBL 1.850000023841858)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vacuolar protein sorting-associated protein 26B (SINGLE PROTEIN), Homo sapiens
UniProt: Q4G0F5
Assay: Binding affinity to human VPS26B incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 114710.14 nM (pChEMBL 3.940000057220459)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Vacuolar protein sorting-associated protein 28 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UK41
Assay: Binding affinity to human VPS28 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7874.36 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: Vacuolar protein sorting-associated protein 28 homolog (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UK41
Assay: Binding affinity to human VPS28 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7874.36 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: Vacuolar protein sorting-associated protein 35 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96QK1
Assay: Binding affinity to human VPS35 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 25.61 nM (pChEMBL 7.590000152587891)
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: Vacuolar protein sorting-associated protein 35 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96QK1
Assay: Binding affinity to human VPS35 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 25.61 nM (pChEMBL 7.590000152587891)
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: Tryptophan--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P23381
Assay: Binding affinity to human WARS incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 29921.18 nM (pChEMBL 4.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Tryptophan--tRNA ligase, cytoplasmic (SINGLE PROTEIN), Homo sapiens
UniProt: P23381
Assay: Binding affinity to human WARS incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 29921.18 nM (pChEMBL 4.519999980926514)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Actin-binding protein WASF2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6W5
Assay: Binding affinity to human WASF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 8535.3 nM (pChEMBL 5.070000171661377)
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: Actin-binding protein WASF2 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9Y6W5
Assay: Binding affinity to human WASF2 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 11012.95 nM (pChEMBL 4.960000038146973)
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: WD repeat-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75083
Assay: Binding affinity to human WDR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 81.7 nM (pChEMBL 7.090000152587891)
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: WD repeat-containing protein 1 (SINGLE PROTEIN), Homo sapiens
UniProt: O75083
Assay: Binding affinity to human WDR1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 81.7 nM (pChEMBL 7.090000152587891)
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: pre-mRNA 3' end processing protein WDR33 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9C0J8
Assay: Binding affinity to human WDR33 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 33.7 nM (pChEMBL 7.46999979019165)
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: pre-mRNA 3' end processing protein WDR33 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9C0J8
Assay: Binding affinity to human WDR33 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 33.7 nM (pChEMBL 7.46999979019165)
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: WD repeat-containing protein 36 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NI36
Assay: Binding affinity to human WDR36 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1127.01 nM (pChEMBL 5.949999809265137)
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: WD repeat-containing protein 36 (SINGLE PROTEIN), Homo sapiens
UniProt: Q8NI36
Assay: Binding affinity to human WDR36 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 1127.01 nM (pChEMBL 5.949999809265137)
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: WD repeat-containing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P61964
Assay: Binding affinity to human WDR5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 36.31 nM (pChEMBL 7.440000057220459)
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: WD repeat-containing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P61964
Assay: Binding affinity to human WDR5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 36.31 nM (pChEMBL 7.440000057220459)
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: WD repeat-containing protein 82 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6UXN9
Assay: Binding affinity to human WDR82 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 47.11 nM (pChEMBL 7.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: WD repeat-containing protein 82 (SINGLE PROTEIN), Homo sapiens
UniProt: Q6UXN9
Assay: Binding affinity to human WDR82 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 47.11 nM (pChEMBL 7.329999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Wee1-like protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P30291
Assay: Binding affinity to human WEE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 1664.14 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: Wee1-like protein kinase (SINGLE PROTEIN), Homo sapiens
UniProt: P30291
Assay: Binding affinity to human WEE1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2629.5 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Wolframin (SINGLE PROTEIN), Homo sapiens
UniProt: O76024
Assay: Binding affinity to human WFS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 2657.47 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Wolframin (SINGLE PROTEIN), Homo sapiens
UniProt: O76024
Assay: Binding affinity to human WFS1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 2657.47 nM (pChEMBL 5.579999923706055)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Partner of Y14 and mago (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRP8
Assay: Binding affinity to human WIBG incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7239.09 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: Partner of Y14 and mago (SINGLE PROTEIN), Homo sapiens
UniProt: Q9BRP8
Assay: Binding affinity to human WIBG incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7239.09 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: Protein Wiz (SINGLE PROTEIN), Homo sapiens
UniProt: O95785
Assay: Binding affinity to human WIZ incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 5924.89 nM (pChEMBL 5.230000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Protein Wiz (SINGLE PROTEIN), Homo sapiens
UniProt: O95785
Assay: Binding affinity to human WIZ incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 5924.89 nM (pChEMBL 5.230000019073486)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Serine/threonine-protein kinase WNK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4A3
Assay: Binding affinity to human WNK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 7119.66 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: Serine/threonine-protein kinase WNK1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9H4A3
Assay: Binding affinity to human WNK1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 7119.66 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: Xaa-Pro aminopeptidase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQW7
Assay: Binding affinity to human XPNPEP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 155.13 nM (pChEMBL 6.809999942779541)
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: Xaa-Pro aminopeptidase 1 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9NQW7
Assay: Binding affinity to human XPNPEP1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 173.22 nM (pChEMBL 6.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Exportin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14980
Assay: Binding affinity to human XPO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 4427.74 nM (pChEMBL 5.349999904632568)
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: Exportin-1 (SINGLE PROTEIN), Homo sapiens
UniProt: O14980
Assay: Binding affinity to human XPO1 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 4427.74 nM (pChEMBL 5.349999904632568)
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: Exportin-5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAV4
Assay: Binding affinity to human XPO5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 3691.82 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: Exportin-5 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9HAV4
Assay: Binding affinity to human XPO5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 3691.82 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: Exportin-6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96QU8
Assay: Binding affinity to human XPO6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 654.27 nM (pChEMBL 6.179999828338623)
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: Exportin-6 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96QU8
Assay: Binding affinity to human XPO6 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 654.27 nM (pChEMBL 6.179999828338623)
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: Exportin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UIA9
Assay: Binding affinity to human XPO7 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 17.28 nM (pChEMBL 7.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Exportin-7 (SINGLE PROTEIN), Homo sapiens
UniProt: Q9UIA9
Assay: Binding affinity to human XPO7 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 17.28 nM (pChEMBL 7.760000228881836)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: Exportin-T (SINGLE PROTEIN), Homo sapiens
UniProt: O43592
Assay: Binding affinity to human XPOT incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 29.87 nM (pChEMBL 7.53000020980835)
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: Exportin-T (SINGLE PROTEIN), Homo sapiens
UniProt: O43592
Assay: Binding affinity to human XPOT incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 29.87 nM (pChEMBL 7.53000020980835)
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: X-ray repair cross-complementing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P13010
Assay: Binding affinity to human XRCC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 10278.47 nM (pChEMBL 4.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: X-ray repair cross-complementing protein 5 (SINGLE PROTEIN), Homo sapiens
UniProt: P13010
Assay: Binding affinity to human XRCC5 incubated for 45 mins by Kinobead based pull down assay
Measurement: ED50 = 10278.47 nM (pChEMBL 4.989999771118164)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32
Compound (SMILES): Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
InChIKey: MWKSRKSEWLRPBL-UHFFFAOYSA-N
Target: X-ray repair cross-complementing protein 6 (SINGLE PROTEIN), Homo sapiens
UniProt: P12956
Assay: Binding affinity to human XRCC6 incubated for 45 mins by Kinobead based pull down assay
Measurement: Kd = 56.66 nM (pChEMBL 7.25)
Descriptors: MW 503.49, ALogP 5.75, HBA 7, HBD 2, PSA 97.62, QED 0.32