Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 1
Ligand
BDBM50514923
Substrate
n/a
Meas. Tech.
ChEMBL_1859085 (CHEMBL4359941)
Ki
500±n/a nM
Citation
 Bryan, MC; Drobnick, J; Gobbi, A; Kolesnikov, A; Chen, Y; Rajapaksa, N; Ndubaku, C; Feng, J; Chang, W; Francis, R; Yu, C; Choo, EF; DeMent, K; Ran, Y; An, L; Emson, C; Huang, Z; Sujatha-Bhaskar, S; Brightbill, H; DiPasquale, A; Maher, J; Wai, J; McKenzie, BS; Lupardus, PJ; Zarrin, AA; Kiefer, JR Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J Med Chem 62:6223-6240 (2019) [PubMed]  Article 
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:
BDBM50514923
Synonyms:
CHEMBL4551768
Type:
Small organic molecule
Emp. Form.:
C23H25N7O
Mol. Mass.:
415.4909
SMILES:
CN(C)c1ccc2cc(NC(=O)c3cnn4cccnc34)c(cc2n1)N1CCCCC1
Structure:
Search PDB for entries with ligand similarity: