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BDBM263552 2-{5-amino-1-[4-(3-cyano- phenoxy)-2-methyl-phenyl]-1h- pyrazole-4-carbonyl}-1h- benzoimidazole-5-carboxylic acid (2-methoxy-ethyl)-amide::US9556150, i-40

SMILES: COCCNC(=O)c1ccc2[nH]c(nc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C

InChI Key: InChIKey=IODXVWPVLGPERS-UHFFFAOYSA-N

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 = 263552   
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM263552
PNG
(2-{5-amino-1-[4-(3-cyano- phenoxy)-2-methyl-phenyl...)
Show SMILES COCCNC(=O)c1ccc2[nH]c(nc2c1)C(=O)c1cnn(c1N)-c1ccc(Oc2cccc(c2)C#N)cc1C
Show InChI InChI=1S/C29H25N7O4/c1-17-12-21(40-20-5-3-4-18(13-20)15-30)7-9-25(17)36-27(31)22(16-33-36)26(37)28-34-23-8-6-19(14-24(23)35-28)29(38)32-10-11-39-2/h3-9,12-14,16H,10-11,31H2,1-2H3,(H,32,38)(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 23n/an/an/an/a7.15n/a



F. Hoffmann-La Roche Inc

US Patent


Assay Description
This BTK competition assay measures compound potency (IC50) for the inactivated state of Bruton's Tyrosine Kinase using FRET (Förster/Fluorescenc...


US Patent US9556150 (2017)


Article DOI: 10.1021/jm040099a
BindingDB Entry DOI: 10.7270/Q2571F1S
More data for this
Ligand-Target Pair