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BDBM351872 US9796716, Compound 117

SMILES: Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)s1

InChI Key: InChIKey=GJKARBRQTGOSEF-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   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 = 351872   
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))
BDBM351872
PNG
(US9796716, Compound 117)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CC(C)(C)O)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C26H25FN6O3S/c1-15-29-11-21(37-15)12-35-19-8-17(27)9-20(10-19)36-18-6-4-16(5-7-18)23-22-24(28)30-14-31-25(22)33(32-23)13-26(2,3)34/h4-11,14,34H,12-13H2,1-3H3,(H2,28,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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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