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SMILES: CN1CCn2nc(Nc3cc(nn(C)c3=O)-c3cccc(N4Cc5cc(sc5C4=O)C(C)(C)C)c3CO)cc2C1

InChI Key: InChIKey=VZDDUZAFBGBYFG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 149473   
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))
BDBM149473
PNG
(US8975260, 120)
Show SMILES CN1CCn2nc(Nc3cc(nn(C)c3=O)-c3cccc(N4Cc5cc(sc5C4=O)C(C)(C)C)c3CO)cc2C1
Show InChI InChI=1S/C29H33N7O3S/c1-29(2,3)24-11-17-14-35(28(39)26(17)40-24)23-8-6-7-19(20(23)16-37)21-13-22(27(38)34(5)31-21)30-25-12-18-15-33(4)9-10-36(18)32-25/h6-8,11-13,37H,9-10,14-16H2,1-5H3,(H,30,32)
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Similars

US Patent
n/an/a 55n/an/an/an/a7.5n/a



Genetech, Inc; Gilead Connecticut, Inc.

US Patent


Assay Description
A generalized procedure for a standard biochemical Btk Kinase Assay that can be used to test Formula I compounds is as follows. A master mix minus Bt...


US Patent US8975260 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0DW9
More data for this
Ligand-Target Pair