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SMILES: COCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1

InChI Key: InChIKey=ZNGQNAHACQRGPL-UHFFFAOYSA-N

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 = 395287   
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))
BDBM395287
PNG
(N-[6-(Hydroxymethyl)-2-(2-methoxyethyl)-2H-indazol...)
Show SMILES COCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
Show InChI InChI=1S/C18H17F3N4O3/c1-28-6-5-25-9-11-7-14(12(10-26)8-15(11)24-25)23-17(27)13-3-2-4-16(22-13)18(19,20)21/h2-4,7-9,26H,5-6,10H2,1H3,(H,23,27)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 136n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

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 DMSO solution of the test substance. 50...


US Patent US10793545 (2020)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM395287
PNG
(N-[6-(Hydroxymethyl)-2-(2-methoxyethyl)-2H-indazol...)
Show SMILES COCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
Show InChI InChI=1S/C18H17F3N4O3/c1-28-6-5-25-9-11-7-14(12(10-26)8-15(11)24-25)23-17(27)13-3-2-4-16(22-13)18(19,20)21/h2-4,7-9,26H,5-6,10H2,1H3,(H,23,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 136n/an/an/an/an/an/a



Amgen



Assay Description
For the assay, 11 different concentrations in the range from 20 μM to 0.073 nM were prepared from a 2 mM DMSO solution of the test substance. 50...


Bioorg Med Chem Lett 19: 3550-4 (2009)


BindingDB Entry DOI: 10.7270/Q2J67K7G
More data for this
Ligand-Target Pair