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BDBM351823 US9796716, Compound 68

SMILES: Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncnc5)c4)cc3)c12)C1CCOCC1

InChI Key: InChIKey=CTNWBHQKNTYXKA-UHFFFAOYSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 351823   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM351823
PNG
(US9796716, Compound 68)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncnc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C27H24FN7O3/c28-19-9-22(37-14-17-12-30-15-31-13-17)11-23(10-19)38-21-3-1-18(2-4-21)25-24-26(29)32-16-33-27(24)35(34-25)20-5-7-36-8-6-20/h1-4,9-13,15-16,20H,5-8,14H2,(H2,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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 US9796716 (2017)


BindingDB Entry DOI: 10.7270/Q2MW2K8J
More data for this
Ligand-Target Pair