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SMILES: Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1

InChI Key: InChIKey=GOVCDOVZCWBJDM-NLEAXPPASA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 302996   
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))		BDBM302996
PNG
(US9598440, 137)
Show SMILES Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r|
Show InChI InChI=1S/C25H29N7O3S/c1-12-7-14(8-13(2)28-12)29-24-27-10-15(23-31-18-11-26-6-5-19(18)36-23)22(32-24)30-17-9-16(25(3,4)35)20(33)21(17)34/h5-8,10-11,16-17,20-21,33-35H,9H2,1-4H3,(H2,27,28,29,30,32)/p+1/t16-,17+,20+,21-/m0/s1
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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