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

InChI Key: InChIKey=DRBPSSBMTVPFME-YHQFRPJESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174525   
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))		BDBM174525
PNG
(US9688676, 16 (R)-1-(1-acryloylpiperidin-3-yl)-4-a...)
Show SMILES C\C=C/N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
Show InChI InChI=1S/C26H27N5O2/c1-2-16-29-17-6-7-20(18-29)30-23-14-15-28-25(27)24(23)31(26(30)32)19-10-12-22(13-11-19)33-21-8-4-3-5-9-21/h2-5,8-16,20H,6-7,17-18H2,1H3,(H2,27,28)/b16-2-/t20-/m1/s1
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US Patent
n/an/a 1.20n/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