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BDBM278854 2-[(3S)- or (3R)- azepan-3-ylamino]-N- [3-(difluoromethyl)-1- methyl-1H-pyrazol-4- yl]thieno[2,3-b] pyrazine-7- carboxamide trifluoroacetate::US10040802, Example 33

SMILES: OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F

InChI Key:

Data: 1 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 1 hit for monomerid = 278854   
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))
BDBM278854
PNG
(2-[(3S)- or (3R)- azepan-3-ylamino]-N- [3-(difluor...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair