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BDBM355837 US9815836, Compound 22

SMILES: OCCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3

InChI Key: InChIKey=GETIDMCBQRRWBD-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 355837   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM355837
PNG
(US9815836, Compound 22)
Show SMILES OCCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C26H34N8O3/c35-15-14-32-12-8-20(9-13-32)34-18-23-24(31-34)26(37)27-10-3-1-2-4-11-33-17-19(16-28-33)21-6-5-7-22(29-21)25(36)30-23/h5-7,16-18,20,35H,1-4,8-15H2,(H,27,37)(H,30,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...


US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))
BDBM355837
PNG
(US9815836, Compound 22)
Show SMILES OCCN1CCC(CC1)n1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3
Show InChI InChI=1S/C26H34N8O3/c35-15-14-32-12-8-20(9-13-32)34-18-23-24(31-34)26(37)27-10-3-1-2-4-11-33-17-19(16-28-33)21-6-5-7-22(29-21)25(36)30-23/h5-7,16-18,20,35H,1-4,8-15H2,(H,27,37)(H,30,36)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...


US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair