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BDBM351800 US9796716, Compound 44

SMILES: Nc1ncnc2n(CCN3CCOCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12

InChI Key: InChIKey=NAMMXCJAZIPKBU-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 = 351800   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM351800
PNG
(US9796716, Compound 44)
Show SMILES Nc1ncnc2n(CCN3CCOCC3)nc(-c3ccc(Oc4cccc(OCc5cncs5)c4)cc3)c12
Show InChI InChI=1S/C27H27N7O3S/c28-26-24-25(32-34(27(24)31-17-30-26)9-8-33-10-12-35-13-11-33)19-4-6-20(7-5-19)37-22-3-1-2-21(14-22)36-16-23-15-29-18-38-23/h1-7,14-15,17-18H,8-13,16H2,(H2,28,30,31)
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