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SMILES: COC(=O)N1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O

InChI Key: InChIKey=MIQARHYSLYNERN-ZMKYDZQFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174466   
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))		BDBM174466
PNG
(US9688676, 15 (S)-methyl4-(5-(2-((4-amino-2-oxo-3-...)
Show SMILES COC(=O)N1CCN(CC1)C(C)(C)\C=C(/C#N)C(=O)N1CCC[C@H]1Cn1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r|
Show InChI InChI=1S/C36H40N8O5/c1-36(2,41-20-18-40(19-21-41)35(47)48-3)22-25(23-37)33(45)42-17-7-8-27(42)24-43-30-15-16-39-32(38)31(30)44(34(43)46)26-11-13-29(14-12-26)49-28-9-5-4-6-10-28/h4-6,9-16,22,27H,7-8,17-21,24H2,1-3H3,(H2,38,39)/b25-22+/t27-/m0/s1
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US Patent
n/an/a 72n/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