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Target
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Ligand
BDBM25924
Substrate
I-kappa-B-alpha
Meas. Tech.
IKK Inhibition Assay
pH
8±n/a
Temperature
303.15±n/a K
IC50
670±n/a nM
Citation
 Beaulieu, F; Ouellet, C; Ruediger, EH; Belema, M; Qiu, Y; Yang, X; Banville, J; Burke, JR; Gregor, KR; MacMaster, JF; Martel, A; McIntyre, KW; Pattoli, MA; Zusi, FC; Vyas, D Synthesis and biological evaluation of 4-amino derivatives of benzimidazoquinoxaline, benzimidazoquinoline, and benzopyrazoloquinazoline as potent IKK inhibitors. Bioorg Med Chem Lett 17:1233-7 (2007) [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:
BDBM25924
Synonyms:
N,12-dimethyl-14,15,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11,13,16-octaen-16-amine | benzopyrazoloquinazoline analogue, 13a
Type:
Small organic molecule
Emp. Form.:
C16H14N4
Mol. Mass.:
262.3092
SMILES:
CNc1nc2cc3ccccc3cc2c2c(C)cnn12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
NF-kappa-B inhibitor alpha
Synonyms:
I-kappa-B-alpha | IKBA | IKBA_HUMAN | MAD3 | NF-kappa-B inhibitor alpha | NFKBI | NFKBIA
Type:
GST fusion protein
Mol. Mass.:
35584.84
Organism:
Homo sapiens (Human)
Description:
It was produced in E. coli as GST-tagged fusion protein (Santa Cruz Biotechnology).
Residue:
317
Sequence:
MFQAAERPQEWAMEGPRDGLKKERLLDDRHDSGLDSMKDEEYEQMVKELQEIRLEPQEVPRGSEPWKQQLTEDGDSFLHLAIIHEEKALTMEVIRQVKGDLAFLNFQNNLQQTPLHLAVITNQPEIAEALLGAGCDPELRDFRGNTPLHLACEQGCLASVGVLTQSCTTPHLHSILKATNYNGHTCLHLASIHGYLGIVELLVSLGADVNAQEPCNGRTALHLAVDLQNPDLVSLLLKCGADVNRVTYQGYSPYQLTWGRPSTRIQQQLGQLTLENLQMLPESEDEESYDTESEFTEFTEDELPYDDCVFGGQRLTL