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SMILES: CCN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O

InChI Key: InChIKey=JKEPUMOZASETIG-HHHXNRCGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174610   
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))		BDBM174610
PNG
(US9688676, 40 (R)-2-(3-(4-amino-2-oxo-3-(4-phenoxy...)
Show SMILES CCN1CCN(CC1=O)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:12.12|
Show InChI InChI=1S/C36H40N8O4/c1-4-40-19-20-42(24-31(40)45)36(2,3)21-25(22-37)34(46)41-18-8-9-27(23-41)43-30-16-17-39-33(38)32(30)44(35(43)47)26-12-14-29(15-13-26)48-28-10-6-5-7-11-28/h5-7,10-17,21,27H,4,8-9,18-20,23-24H2,1-3H3,(H2,38,39)/t27-/m1/s1
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.70n/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