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SMILES: C[C@H]1CN(C[C@@H](C)N1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O

InChI Key: InChIKey=WNRFXZVJKXLXNX-CERRFVOPSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174528   
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))		BDBM174528
PNG
(US9688676, 19 2-((R)-3-(4-amino-2-oxo-3-(4-phenoxy...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(C)(C)C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O |r,w:11.11|
Show InChI InChI=1S/C36H42N8O3/c1-24-21-42(22-25(2)40-24)36(3,4)19-26(20-37)34(45)41-18-8-9-28(23-41)43-31-16-17-39-33(38)32(31)44(35(43)46)27-12-14-30(15-13-27)47-29-10-6-5-7-11-29/h5-7,10-17,19,24-25,28,40H,8-9,18,21-23H2,1-4H3,(H2,38,39)/t24-,25+,28-/m1/s1
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US Patent
n/an/a 7.80n/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