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BDBM350884 US9795608, Compound 14

SMILES: Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)cn1

InChI Key: InChIKey=UQXXQRNFBDATRL-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 350884   
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))
BDBM350884
PNG
(US9795608, Compound 14)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-n3nc(C4CCOCC4)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C29H27FN6O3/c1-18-2-3-19(15-32-18)16-38-24-12-21(30)13-25(14-24)39-23-6-4-22(5-7-23)36-28-27(33-17-34-29(28)31)26(35-36)20-8-10-37-11-9-20/h2-7,12-15,17,20H,8-11,16H2,1H3,(H2,31,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
<100n/an/an/an/an/an/an/an/a



PHARMASCIENCE, INC.

US Patent


Assay Description
Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length Bruton Aga...


US Patent US9795608 (2017)


BindingDB Entry DOI: 10.7270/Q29K4DCP
More data for this
Ligand-Target Pair