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BDBM278743 2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[1- methyl-3- (trifluoromethyl)-1H- pyrazol-4- yl]pyrrolo[1,2- b]pyridazine-7- carboxamide trifluoroacetate::US10040798, Example 40

SMILES: OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)(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 = 278743   
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))
BDBM278743
PNG
(2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[1- methyl-3...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)(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 2n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent




US Patent US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair