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Target
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Ligand
BDBM50257825
Substrate
n/a
Meas. Tech.
ChEBML_1690028
Ki
16000±n/a nM
Citation
 Anthony, NG; Baiget, J; Berretta, G; Boyd, M; Breen, D; Edwards, J; Gamble, C; Gray, AI; Harvey, AL; Hatziieremia, S; Ho, KH; Huggan, JK; Lang, S; Llona-Minguez, S; Luo, JL; McIntosh, K; Paul, A; Plevin, RJ; Robertson, MN; Scott, R; Suckling, CJ; Sutcliffe, OB; Young, LC; Mackay, SP Inhibitory Kappa B Kinase? (IKK?) Inhibitors That Recapitulate Their Selectivity in Cells against Isoform-Related Biomarkers. J Med Chem 60:7043-7066 (2017) [PubMed]  Article 
Target
Name:
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Synonyms:
CHUK | Conserved helix-loop-helix ubiquitous kinase | I-kappa-B kinase 1 | I-kappa-B kinase alpha | IKK-A | IKK-alpha | IKK1 | IKK2/IKK1 | IKKA | IKKA_HUMAN | IkBKA | IkappaB kinase | Inhibitor of NF-kappa-B kinase alpha/beta | NFKBIKA | Nuclear factor NF-kappa-B inhibitor kinase alpha | TCF-16 | TCF16 | Transcription factor 16
Type:
PROTEIN
Mol. Mass.:
84642.21
Organism:
Homo sapiens (Human)
Description:
ChEMBL_327453
Residue:
745
Sequence:
MERPPGLRPGAGGPWEMRERLGTGGFGNVCLYQHRELDLKIAIKSCRLELSTKNRERWCHEIQIMKKLNHANVVKACDVPEELNILIHDVPLLAMEYCSGGDLRKLLNKPENCCGLKESQILSLLSDIGSGIRYLHENKIIHRDLKPENIVLQDVGGKIIHKIIDLGYAKDVDQGSLCTSFVGTLQYLAPELFENKPYTATVDYWSFGTMVFECIAGYRPFLHHLQPFTWHEKIKKKDPKCIFACEEMSGEVRFSSHLPQPNSLCSLVVEPMENWLQLMLNWDPQQRGGPVDLTLKQPRCFVLMDHILNLKIVHILNMTSAKIISFLLPPDESLHSLQSRIERETGINTGSQELLSETGISLDPRKPASQCVLDGVRGCDSYMVYLFDKSKTVYEGPFASRSLSDCVNYIVQDSKIQLPIIQLRKVWAEAVHYVSGLKEDYSRLFQGQRAAMLSLLRYNANLTKMKNTLISASQQLKAKLEFFHKSIQLDLERYSEQMTYGISSEKMLKAWKEMEEKAIHYAEVGVIGYLEDQIMSLHAEIMELQKSPYGRRQGDLMESLEQRAIDLYKQLKHRPSDHSYSDSTEMVKIIVHTVQSQDRVLKELFGHLSKLLGCKQKIIDLLPKVEVALSNIKEADNTVMFMQGKRQKEIWHLLKIACTQSSARSLVGSSLEGAVTPQTSAWLPPTSAEHDHSLSCVVTPQDGETSAQMIEENLNCLGHLSTIIHEANEEQGNSMMNLDWSWLTE
  
Inhibitor
Name:
BDBM50257825
Synonyms:
CHEMBL4100931
Type:
Small organic molecule
Emp. Form.:
C20H16N6O2S
Mol. Mass.:
404.445
SMILES:
Cc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(N)nc3[nH]cc(C#N)c23)cc1
Structure:
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