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SMILES: COc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1

InChI Key: InChIKey=IHJGOSPFZNSPPV-IAECCPNBSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 302985   
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))		BDBM302985
PNG
(US9598440, 126)
Show SMILES COc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)ccn1 |r|
Show InChI InChI=1S/C25H28N6O4S/c1-25(2,34)15-11-17(21(33)20(15)32)29-22-14(23-30-16-6-4-5-7-18(16)36-23)12-27-24(31-22)28-13-8-9-26-19(10-13)35-3/h4-10,12,15,17,20-21,32-34H,11H2,1-3H3,(H2,26,27,28,29,31)/p+1/t15-,17+,20+,21-/m0/s1
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MMDB

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US Patent
n/an/a 9n/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