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BDBM351885 US9796716, Compound 130

SMILES: Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C(CO)CO)c4ncnc(N)c34)c2)cn1

InChI Key: InChIKey=DMAHGSXROYVVJX-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 = 351885   
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))
BDBM351885
PNG
(US9796716, Compound 130)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C(CO)CO)c4ncnc(N)c34)c2)cn1
Show InChI InChI=1S/C26H24FN7O4/c1-15-29-9-16(10-30-15)13-37-21-6-18(27)7-22(8-21)38-20-4-2-17(3-5-20)24-23-25(28)31-14-32-26(23)34(33-24)19(11-35)12-36/h2-10,14,19,35-36H,11-13H2,1H3,(H2,28,31,32)
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