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Target
Lysine-specific demethylase 6B
Ligand
BDBM50513352
Substrate
n/a
Meas. Tech.
ChEMBL_1853070 (CHEMBL4353694)
IC50
32260±n/a nM
Citation
 Le Bihan, YV; Lanigan, RM; Atrash, B; McLaughlin, MG; Velupillai, S; Malcolm, AG; England, KS; Ruda, GF; Mok, NY; Tumber, A; Tomlin, K; Saville, H; Shehu, E; McAndrew, C; Carmichael, L; Bennett, JM; Jeganathan, F; Eve, P; Donovan, A; Hayes, A; Wood, F; Raynaud, FI; Fedorov, O; Brennan, PE; Burke, R; van Montfort, RLM; Rossanese, OW; Blagg, J; Bavetsias, V C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays. Eur J Med Chem 177:316-337 (2019) [PubMed]  Article
Target
Name:
Lysine-specific demethylase 6B
Synonyms:
JMJD3 | JmjC domain-containing protein 3 | Jumonji domain-containing protein 3 | KDM6B | KDM6B_HUMAN | KIAA0346 | Lysine demethylase 6B | Lysine-specific demethylase 6B | Lysine-specific demethylase 6B (KDM6B(JMJD3)) | Lysine-specific demethylase 6B (KDM6B)
Type:
Protein
Mol. Mass.:
176672.55
Organism:
Homo sapiens (Human)
Description:
O15054
Residue:
1643
Sequence:
MHRAVDPPGARAAREAFALGGLSCAGAWSSCPPHPPPRSAWLPGGRCSASIGQPPLPAPLPPSHGSSSGHPSKPYYAPGAPTPRPLHGKLESLHGCVQALLREPAQPGLWEQLGQLYESEHDSEEATRCYHSALRYGGSFAELGPRIGRLQQAQLWNFHTGSCQHRAKVLPPLEQVWNLLHLEHKRNYGAKRGGPPVKRAAEPPVVQPVPPAALSGPSGEEGLSPGGKRRRGCNSEQTGLPPGLPLPPPPLPPPPPPPPPPPPPLPGLATSPPFQLTKPGLWSTLHGDAWGPERKGSAPPERQEQRHSLPHPYPYPAPAYTAHPPGHRLVPAAPPGPGPRPPGAESHGCLPATRPPGSDLRESRVQRSRMDSSVSPAATTACVPYAPSRPPGLPGTTTSSSSSSSSNTGLRGVEPNPGIPGADHYQTPALEVSHHGRLGPSAHSSRKPFLGAPAATPHLSLPPGPSSPPPPPCPRLLRPPPPPAWLKGPACRAAREDGEILEELFFGTEGPPRPAPPPLPHREGFLGPPASRFSVGTQDSHTPPTPPTPTTSSSNSNSGSHSSSPAGPVSFPPPPYLARSIDPLPRPPSPAQNPQDPPLVPLTLALPPAPPSSCHQNTSGSFRRPESPRPRVSFPKTPEVGPGPPPGPLSKAPQPVPPGVGELPARGPRLFDFPPTPLEDQFEEPAEFKILPDGLANIMKMLDESIRKEEEQQQHEAGVAPQPPLKEPFASLQSPFPTDTAPTTTAPAVAVTTTTTTTTTTTATQEEEKKPPPALPPPPPLAKFPPPSQPQPPPPPPPSPASLLKSLASVLEGQKYCYRGTGAAVSTRPGPLPTTQYSPGPPSGATALPPTSAAPSAQGSPQPSASSSSQFSTSGGPWARERRAGEEPVPGPMTPTQPPPPLSLPPARSESEVLEEISRACETLVERVGRSATDPADPVDTAEPADSGTERLLPPAQAKEEAGGVAAVSGSCKRRQKEHQKEHRRHRRACKDSVGRRPREGRAKAKAKVPKEKSRRVLGNLDLQSEEIQGREKSRPDLGGASKAKPPTAPAPPSAPAPSAQPTPPSASVPGKKAREEAPGPPGVSRADMLKLRSLSEGPPKELKIRLIKVESGDKETFIASEVEERRLRMADLTISHCAADVVRASRNAKVKGKFRESYLSPAQSVKPKINTEEKLPREKLNPPTPSIYLESKRDAFSPVLLQFCTDPRNPITVIRGLAGSLRLNLGLFSTKTLVEASGEHTVEVRTQVQQPSDENWDLTGTRQIWPCESSRSHTTIAKYAQYQASSFQESLQEEKESEDEESEEPDSTTGTPPSSAPDPKNHHIIKFGTNIDLSDAKRWKPQLQELLKLPAFMRVTSTGNMLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDCEWFAVHEHYWETISAFCDRHGVDYLTGSWWPILDDLYASNIPVYRFVQRPGDLVWINAGTVHWVQATGWCNNIAWNVGPLTAYQYQLALERYEWNEVKNVKSIVPMIHVSWNVARTVKISDPDLFKMIKFCLLQSMKHCQVQRESLVRAGKKIAYQGRVKDEPAYYCNECDVEVFNILFVTSENGSRNTYLVHCEGCARRRSAGLQGVVVLEQYRTEELAQAYDAFTLAPASTSR
  
Inhibitor
Name:
BDBM50513352
Synonyms:
CHEMBL4592908
Type:
Small organic molecule
Emp. Form.:
C28H33N7O
Mol. Mass.:
483.6079
SMILES:
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(CN3CCCC3)c2)cn1
Structure:
Search PDB for entries with ligand similarity: