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BDBM395292 N-[2-(2-Hydroxyethyl)-6-(hydroxymethyl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide::US10308634, Example 7::US10793545, Example 7

SMILES: OCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1

InChI Key: InChIKey=UDGUXBZYVQFQBZ-UHFFFAOYSA-N

Data: 2 IC50

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 = 395292   
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))
BDBM395292
PNG
(N-[2-(2-Hydroxyethyl)-6-(hydroxymethyl)-2H-indazol...)
Show SMILES OCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
Show InChI InChI=1S/C17H15F3N4O3/c18-17(19,20)15-3-1-2-12(21-15)16(27)22-13-6-10-8-24(4-5-25)23-14(10)7-11(13)9-26/h1-3,6-8,25-26H,4-5,9H2,(H,22,27)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 867n/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))
BDBM395292
PNG
(N-[2-(2-Hydroxyethyl)-6-(hydroxymethyl)-2H-indazol...)
Show SMILES OCCn1cc2cc(NC(=O)c3cccc(n3)C(F)(F)F)c(CO)cc2n1
Show InChI InChI=1S/C17H15F3N4O3/c18-17(19,20)15-3-1-2-12(21-15)16(27)22-13-6-10-8-24(4-5-25)23-14(10)7-11(13)9-26/h1-3,6-8,25-26H,4-5,9H2,(H,22,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 867n/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