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BDBM351851 US9796716, Compound 96

SMILES: Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCO)c4ncnc(N)c34)c2)cn1

InChI Key: InChIKey=ZGSOSMQAJVTANP-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 = 351851   
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))
BDBM351851
PNG
(US9796716, Compound 96)
Show SMILES Cc1ccc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(CCCO)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C27H25FN6O3/c1-17-3-4-18(14-30-17)15-36-22-11-20(28)12-23(13-22)37-21-7-5-19(6-8-21)25-24-26(29)31-16-32-27(24)34(33-25)9-2-10-35/h3-8,11-14,16,35H,2,9-10,15H2,1H3,(H2,29,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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