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Target
Interleukin-1 receptor-associated kinase 1
Ligand
BDBM50612195
Substrate
n/a
Meas. Tech.
ChEMBL_2286317
IC50
1400±n/a nM
Citation
 Degorce, SL; Aagaard, A; Anjum, R; Cumming, IA; Dične, CR; Fallan, C; Johnson, T; Leuchowius, KJ; Orton, AL; Pearson, S; Robb, GR; Rosen, A; Scarfe, GB; Scott, JS; Smith, JM; Steward, OR; Terstiege, I; Tucker, MJ; Turner, P; Wilkinson, SD; Wrigley, GL; Xue, Y Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg Med Chem 28:0 (2020) [PubMed] 
Target
Name:
Interleukin-1 receptor-associated kinase 1
Synonyms:
IRAK | IRAK-1 | IRAK1 | IRAK1_HUMAN | Interleukin-1 receptor-associated kinase 1 (IRAK-1)
Type:
Enzyme
Mol. Mass.:
76536.81
Organism:
Homo sapiens (Human)
Description:
P51617
Residue:
712
Sequence:
MAGGPGPGEPAAPGAQHFLYEVPPWVMCRFYKVMDALEPADWCQFAALIVRDQTELRLCERSGQRTASVLWPWINRNARVADLVHILTHLQLLRARDIITAWHPPAPLPSPGTTAPRPSSIPAPAEAEAWSPRKLPSSASTFLSPAFPGSQTHSGPELGLVPSPASLWPPPPSPAPSSTKPGPESSVSLLQGARPFPFCWPLCEISRGTHNFSEELKIGEGGFGCVYRAVMRNTVYAVKRLKENADLEWTAVKQSFLTEVEQLSRFRHPNIVDFAGYCAQNGFYCLVYGFLPNGSLEDRLHCQTQACPPLSWPQRLDILLGTARAIQFLHQDSPSLIHGDIKSSNVLLDERLTPKLGDFGLARFSRFAGSSPSQSSMVARTQTVRGTLAYLPEEYIKTGRLAVDTDTFSFGVVVLETLAGQRAVKTHGARTKYLKDLVEEEAEEAGVALRSTQSTLQAGLAADAWAAPIAMQIYKKHLDPRPGPCPPELGLGLGQLACCCLHRRAKRRPPMTQVYERLEKLQAVVAGVPGHSEAASCIPPSPQENSYVSSTGRAHSGAAPWQPLAAPSGASAQAAEQLQRGPNQPVESDESLGGLSAALRSWHLTPSCPLDPAPLREAGCPQGDTAGESSWGSGPGSRPTAVEGLALGSSASSSSEPPQIIINPARQKMVQKLALYEDGALDSLQLLSSSSLPGLGLEQDRQGPEESDEFQS
  
Inhibitor
Name:
BDBM50612195
Synonyms:
CHEMBL5288931
Type:
Small organic molecule
Emp. Form.:
C25H28FN9O
Mol. Mass.:
489.5479
SMILES:
CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(c(F)cc3n2)-c2cnc(C)nc2)cn1
Structure:
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