Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase SETD7
Ligand
BDBM50124905
Substrate
n/a
Meas. Tech.
ChEMBL_1521870 (CHEMBL3626816)
IC50
4880±n/a nM
Citation
 Meng, F; Cheng, S; Ding, H; Liu, S; Liu, Y; Zhu, K; Chen, S; Lu, J; Xie, Y; Li, L; Liu, R; Shi, Z; Zhou, Y; Liu, YC; Zheng, M; Jiang, H; Lu, W; Liu, H; Luo, C Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening. J Med Chem 58:8166-81 (2015) [PubMed]  Article 
Target
Name:
Histone-lysine N-methyltransferase SETD7
Synonyms:
Histone-lysine N-methyltransferase SETD7 | KIAA1717 | KMT7 | SET domain-containing protein 7/9 (Set7/9) | SET7 | SET9 | SETD7 | SETD7_HUMAN
Type:
Enzyme
Mol. Mass.:
40691.12
Organism:
Homo sapiens (Human)
Description:
Q8WTS6
Residue:
366
Sequence:
MDSDDEMVEEAVEGHLDDDGLPHGFCTVTYSSTDRFEGNFVHGEKNGRGKFFFFDGSTLEGYYVDDALQGQGVYTYEDGGVLQGTYVDGELNGPAQEYDTDGRLIFKGQYKDNIRHGVCWIYYPDGGSLVGEVNEDGEMTGEKIAYVYPDERTALYGKFIDGEMIEGKLATLMSTEEGRPHFELMPGNSVYHFDKSTSSCISTNALLPDPYESERVYVAESLISSAGEGLFSKVAVGPNTVMSFYNGVRITHQEVDSRDWALNGNTLSLDEETVIDVPEPYNHVSKYCASLGHKANHSFTPNCIYDMFVHPRFGPIKCIRTLRAVEADEELTVAYGYDHSPPGKSGPEAPEWYQVELKAFQATQQK
  
Inhibitor
Name:
BDBM50124905
Synonyms:
CHEMBL3623770
Type:
Small organic molecule
Emp. Form.:
C14H13N3O5S
Mol. Mass.:
335.335
SMILES:
COC(=O)c1c(N)sc(C(=O)Nc2cccc(c2)[N+]([O-])=O)c1C
Structure:
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