Reaction Details Report a problem with these data
Target
Lysine-specific demethylase 4E
Ligand
BDBM191600
Substrate
n/a
Meas. Tech.
ChEMBL_1771190 (CHEMBL4223302)
IC50
160±n/a nM
Citation
 Nie, Z; Shi, L; Lai, C; O'Connell, SM; Xu, J; Stansfield, RK; Hosfield, DJ; Veal, JM; Stafford, JA Structure-based design and discovery of potent and selective KDM5 inhibitors. Bioorg Med Chem Lett 28:1490-1494 (2018) [PubMed]  Article 
Target
Name:
Lysine-specific demethylase 4E
Synonyms:
2-OG-Dependent Histone Demethylase JMJD2E | Histone Lysine Demethylase | Jumonji domain-containing protein 2E (JMJD2E) | KDM4D-like protein | KDM4DL | KDM4E | KDM4E_HUMAN | Lysine-specific demethylase 4D-like | Lysine-specific demethylase 4E | Lysine-specific demethylase 4E (KDM4E)
Type:
Enzyme
Mol. Mass.:
56815.71
Organism:
Homo sapiens (Human)
Description:
B2RXH2
Residue:
506
Sequence:
MKSVHSSPQNTSHTIMTFYPTMEEFADFNTYVAYMESQGAHQAGLAKVIPPKEWKARQMYDDIEDILIATPLQQVTSGQGGVFTQYHKKKKAMRVGQYRRLANSKKYQTPPHQNFADLEQRYWKSHPGNPPIYGADISGSLFEESTKQWNLGHLGTILDLLEQECGVVIEGVNTPYLYFGMWKTTFAWHTEDMDLYSINYLHFGEPKTWYVVPPEHGQHLERLARELFPDISRGCEAFLRHKVALISPTVLKENGIPFNCMTQEAGEFMVTFPYGYHAGFNHGFNCAEAINFATPRWIDYGKMASQCSCGESTVTFSMDPFVRIVQPESYELWKHRQDLAIVEHTEPRVAESQELSNWRDDIVLRRAALGLRLLPNLTAQCPTQPVSSGHCYNPKGCGTDAVPGSAFQSSAYHTQTQSLTLGMSARVLLPSTGSWGSGRGRGRGQGQGRGCSRGRGHGCCTRELGTEEPTVQPASKRRLLMGTRSRAQGHRPQLPLANDLMTNLSL
  
Inhibitor
Name:
BDBM191600
Synonyms:
2-(5-((4-chloro-2-methylbenzyl)oxy)-1Hpyrazol-1-yl)isonicotinic acid (N19) | US10173996, Example 89 | US9604961, Example 89 | US9714230, 89 | US9908865, Example 89
Type:
Small organic molecule
Emp. Form.:
C17H14ClN3O3
Mol. Mass.:
343.764
SMILES:
Cc1cc(Cl)ccc1COc1ccnn1-c1cc(ccn1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: