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BDBM351818 US9796716, Compound 63

SMILES: Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5ccccc5)c4)cc3)c12)C1CCOCC1

InChI Key: InChIKey=JPKXLOHROVQJII-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 351818   
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))
BDBM351818
PNG
(US9796716, Compound 63)
Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4cc(F)cc(OCc5ccccc5)c4)cc3)c12)C1CCOCC1
Show InChI InChI=1S/C29H26FN5O3/c30-21-14-24(37-17-19-4-2-1-3-5-19)16-25(15-21)38-23-8-6-20(7-9-23)27-26-28(31)32-18-33-29(26)35(34-27)22-10-12-36-13-11-22/h1-9,14-16,18,22H,10-13,17H2,(H2,31,32,33)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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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