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Target
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Ligand
BDBM50257816
Substrate
n/a
Meas. Tech.
ChEBML_1690028
Ki
2000±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:
BDBM50257816
Synonyms:
CHEMBL4059744
Type:
Small organic molecule
Emp. Form.:
C13H16N6O
Mol. Mass.:
272.3057
SMILES:
Nc1nc(N[C@H]2CC[C@H](O)CC2)c2c(c[nH]c2n1)C#N |r,wU:5.4,wD:8.8,(53.68,-39.68,;55.01,-38.91,;55.02,-37.37,;56.34,-36.6,;56.34,-35.07,;55.08,-34.16,;53.68,-34.81,;52.43,-33.9,;52.58,-32.36,;51.34,-31.46,;53.99,-31.73,;55.24,-32.63,;57.68,-37.37,;59.14,-36.88,;60.05,-38.12,;59.15,-39.37,;57.68,-38.91,;56.35,-39.68,;59.6,-35.42,;60.07,-33.96,)|
Structure:
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