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BDBM351868 US9796716, Compound 113

SMILES: Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4COC4)c4ncnc(N)c34)c2)s1

InChI Key: InChIKey=NTXJMDCKTLPFRJ-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 = 351868   
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))
BDBM351868
PNG
(US9796716, Compound 113)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4COC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C25H21FN6O3S/c1-14-28-9-21(36-14)12-34-19-6-16(26)7-20(8-19)35-18-4-2-15(3-5-18)23-22-24(27)29-13-30-25(22)32(31-23)17-10-33-11-17/h2-9,13,17H,10-12H2,1H3,(H2,27,29,30)
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