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BDBM259426 US9512084, 25

SMILES: CN(CCOc1c(N)ncnc1-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO)C(=O)C=C

InChI Key: InChIKey=BHCKKAMTPGHEQI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 259426   
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))
BDBM259426
PNG
(US9512084, 25)
Show SMILES CN(CCOc1c(N)ncnc1-c1cc(F)cc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO)C(=O)C=C
Show InChI InChI=1S/C29H30FN5O4/c1-3-25(37)34(2)10-11-39-27-26(32-16-33-28(27)31)22-13-20(30)14-24(23(22)15-36)35-9-8-19-12-18(17-4-5-17)6-7-21(19)29(35)38/h3,6-7,12-14,16-17,36H,1,4-5,8-11,15H2,2H3,(H2,31,32,33)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
The inhibitory activity of the present compounds against Btk was assessed in a biochemical enzyme assay. Assay plates in 384 well format were prepare...


US Patent US9512084 (2016)


BindingDB Entry DOI: 10.7270/Q2ZK5FMH
More data for this
Ligand-Target Pair