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SMILES: NC(=O)Cc1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1

InChI Key: InChIKey=QOGHEHICRDSVPI-SRBBEKPSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 302891   
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))
BDBM302891
PNG
(US9598440, 29)
Show SMILES NC(=O)Cc1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r|
Show InChI InChI=1S/C25H26N6O4S/c26-20(33)9-13-5-7-15(8-6-13)28-25-27-11-16(24-30-17-3-1-2-4-19(17)36-24)23(31-25)29-18-10-14(12-32)21(34)22(18)35/h1-8,11,14,18,21-22,32,34-35H,9-10,12H2,(H2,26,33)(H2,27,28,29,31)/t14-,18-,21-,22+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...


US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair