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Target
Interleukin-1 receptor-associated kinase 1
Ligand
BDBM206105
Substrate
n/a
Meas. Tech.
In vitro IRAK-1 and IRAK-4 Assay
IC50
163±n/a nM
Citation
 Arora, N; Chen, S; Hermann, JC; Kuglstatter, A; Labadie, SS; Lin, CJ; Lucas, MC; Moore, AG; Papp, E; Talamas, FX; Wanner, J; Zhai, Y Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators US Patent  US9255110 Publication Date 2/9/2016 
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:
BDBM206105
Synonyms:
US9255110, 18
Type:
Small organic molecule
Emp. Form.:
C19H19ClN4O4
Mol. Mass.:
402.832
SMILES:
OC1CCC(CC1)Oc1ccc(Cl)cc1NC(=O)c1cnn2cc(O)cnc12 |(5.15,-5.95,;4.06,-4.86,;2.58,-5.26,;1.49,-4.17,;1.89,-2.68,;3.37,-2.28,;4.46,-3.37,;.8,-1.59,;-.69,-1.99,;-1.09,-3.48,;-2.58,-3.88,;-3.67,-2.79,;-5.15,-3.19,;-3.27,-1.3,;-1.78,-.9,;-1.38,.59,;-2.47,1.67,;-3.96,1.28,;-2.07,3.16,;-2.98,4.41,;-2.07,5.65,;-.61,5.18,;.73,5.95,;2.06,5.18,;3.39,5.95,;2.06,3.64,;.73,2.87,;-.61,3.64,)|
Structure:
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