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Assay Detail

CHEMBL5511281

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Binding
Inhibition of human C-terminal his tagged NSD2 PWWP1 domain (208 to 358 residues) expressed in Escherichia coli Bl21 (DE3) gold cells incubated for 45 mins by biochemical assay
34
Total Activities
34
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Histone-lysine N-methyltransferase NSD2 (CHEMBL3108645)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Identification of Novel Potent NSD2-PWWP1 Ligands Using Structure-Based Design and Computational Approaches.
Carlino L, Astles PC, Ackroyd B, Ahmed A, Chan C, Collie GW, Dale IL, O'Donovan DH, Fawcett C, di Fruscia P, Gohlke A, Guo X, Hao-Ru Hsu J, Kaplan B, Milbradt AG, Northall S, Petrović D, Rivers EL, Underwood E, Webb A.
J Med Chem (2024) 67 : 8962 -8987
PubMed 38748070 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 34 6.69 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5557662 1 9.00
CHEMBL5559507 1 8.20
CHEMBL5562340 1 7.70
CHEMBL5566275 1 7.60
CHEMBL5527939 1 7.50
CHEMBL5542933 1 7.50
CHEMBL5542423 1 7.40
CHEMBL5517660 1 7.30
CHEMBL5562153 1 7.30
CHEMBL5562333 1 7.30
CHEMBL5559177 1 7.20
CHEMBL5560960 1 7.20
CHEMBL5517868 1 7.10
CHEMBL5556330 1 7.00
CHEMBL5542909 1 6.90
CHEMBL5557539 1 6.80
CHEMBL6067693 1 6.80
CHEMBL5556168 1 6.70
CHEMBL5562663 1 6.70
CHEMBL5532583 1 6.60
CHEMBL5200945 1 6.60
CHEMBL5565515 1 6.40
CHEMBL5532580 1 6.40
CHEMBL5555145 1 6.30
CHEMBL5562861 1 6.30
CHEMBL5532365 1 6.20
CHEMBL6067694 1 6.20
CHEMBL5560105 1 6.20
CHEMBL4758943 1 5.60
CHEMBL5556655 1 5.50

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5557662 IC50 = 1.0 nM 9.00
CHEMBL5559507 IC50 = 6.31 nM 8.20
CHEMBL5562340 IC50 = 19.95 nM 7.70
CHEMBL5566275 IC50 = 25.12 nM 7.60
CHEMBL5527939 IC50 = 31.62 nM 7.50
CHEMBL5542933 IC50 = 31.62 nM 7.50
CHEMBL5542423 IC50 = 39.81 nM 7.40
CHEMBL5517660 IC50 = 50.12 nM 7.30
CHEMBL5562153 IC50 = 50.12 nM 7.30
CHEMBL5562333 IC50 = 50.12 nM 7.30
CHEMBL5559177 IC50 = 63.1 nM 7.20
CHEMBL5560960 IC50 = 63.1 nM 7.20
CHEMBL5517868 IC50 = 79.43 nM 7.10
CHEMBL5556330 IC50 = 100.0 nM 7.00
CHEMBL5542909 IC50 = 125.89 nM 6.90
CHEMBL5557539 IC50 = 158.49 nM 6.80
CHEMBL6067693 IC50 = 158.49 nM 6.80
CHEMBL5556168 IC50 = 199.53 nM 6.70
CHEMBL5562663 IC50 = 199.53 nM 6.70
CHEMBL5532583 IC50 = 251.19 nM 6.60
CHEMBL5200945 IC50 = 251.19 nM 6.60
CHEMBL5565515 IC50 = 398.11 nM 6.40
CHEMBL5532580 IC50 = 398.11 nM 6.40
CHEMBL5555145 IC50 = 501.19 nM 6.30
CHEMBL5562861 IC50 = 501.19 nM 6.30
CHEMBL5532365 IC50 = 630.96 nM 6.20
CHEMBL6067694 IC50 = 630.96 nM 6.20
CHEMBL5560105 IC50 = 630.96 nM 6.20
CHEMBL4758943 IC50 = 2511.89 nM 5.60
CHEMBL5556655 IC50 = 3162.28 nM 5.50
CHEMBL5561556 IC50 = 3981.07 nM 5.40
CHEMBL5518061 IC50 = 10000.0 nM 5.00
CHEMBL5563959 IC50 = 12589.25 nM 4.90
CHEMBL4778517 IC50 = 25118.86 nM 4.60