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SMILES: COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(C)(C)O)C1CCOCC1

InChI Key: InChIKey=AMSYSGSGVNYOFM-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 414457   
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))		BDBM414457
PNG
(6-(2-Hydroxypropan-2-yl)-N-[6-methoxy-2-(tetrahydr...)
Show SMILES COc1cc2nn(cc2cc1NC(=O)c1cccc(n1)C(C)(C)O)C1CCOCC1
Show InChI InChI=1S/C22H26N4O4/c1-22(2,28)20-6-4-5-16(23-20)21(27)24-18-11-14-13-26(15-7-9-30-10-8-15)25-17(14)12-19(18)29-3/h4-6,11-13,15,28H,7-10H2,1-3H3,(H,24,27)
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US Patent
n/an/a 3n/an/an/an/an/an/a



Bayer Pharma Aktiegesellschaft

US Patent


Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM solution of the test substance in DMSO....

US Patent US10435396 (2019)


BindingDB Entry DOI: 10.7270/Q28C9ZMZ
More data for this
Ligand-Target Pair