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BDBM174526 US9688676, 17 (R)-4-amino-1-(1-(but-2-ynoyl)piperidin-3-yl)-3-(4-phenoxyphenyl)-1H-imidazo[4,5-c]pyridin-2(3H)-one

SMILES: CC#CC(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O

InChI Key: InChIKey=OSNMUKXZHBAWCN-HXUWFJFHSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174526   
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))
BDBM174526
PNG
(US9688676, 17 (R)-4-amino-1-(1-(but-2-ynoyl)piperi...)
Show SMILES CC#CC(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
Show InChI InChI=1S/C27H25N5O3/c1-2-7-24(33)30-17-6-8-20(18-30)31-23-15-16-29-26(28)25(23)32(27(31)34)19-11-13-22(14-12-19)35-21-9-4-3-5-10-21/h3-5,9-16,20H,6,8,17-18H2,1H3,(H2,28,29)/t20-/m1/s1
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PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of BTK kinase activity of a compound of the pre...


US Patent US9688676 (2017)


BindingDB Entry DOI: 10.7270/Q2XD0ZVX
More data for this
Ligand-Target Pair