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BDBM351806 US9796716, Compound 50

SMILES: Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncs5)c4)cc3)c12)C1CCCC1

InChI Key: InChIKey=KFNRVDNKEXYKDL-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 351806   
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))
BDBM351806
PNG
(US9796716, Compound 50)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5cncs5)c4)cc3)c12)C1CCCC1
Show InChI InChI=1S/C26H23FN6O2S/c27-17-9-20(34-13-22-12-29-15-36-22)11-21(10-17)35-19-7-5-16(6-8-19)24-23-25(28)30-14-31-26(23)33(32-24)18-3-1-2-4-18/h5-12,14-15,18H,1-4,13H2,(H2,28,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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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 US9796716 (2017)


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