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BDBM359878 US9822120, Compound 35

SMILES: CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)nccn12

InChI Key: InChIKey=MFGWOZWQKFGTER-UHFFFAOYSA-N

Data: 2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 359878   
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))
BDBM359878
PNG
(US9822120, Compound 35)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C28H26FN5O3/c1-17(2)28-33-25(26-27(30)31-9-10-34(26)28)19-4-7-22(8-5-19)37-24-12-20(29)11-23(13-24)36-16-18-3-6-21(15-35)32-14-18/h3-14,17,35H,15-16H2,1-2H3,(H2,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<100n/an/an/an/a



Pharmascience Inc

US Patent


Assay Description
Method A: Fluorescence polarization-based kinase assays were performed in 384 well-plate format using histidine tagged recombinant human full-length ...


US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM359878
PNG
(US9822120, Compound 35)
Show SMILES CC(C)c1nc(-c2ccc(Oc3cc(F)cc(OCc4ccc(CO)nc4)c3)cc2)c2c(N)nccn12
Show InChI InChI=1S/C28H26FN5O3/c1-17(2)28-33-25(26-27(30)31-9-10-34(26)28)19-4-7-22(8-5-19)37-24-12-20(29)11-23(13-24)36-16-18-3-6-21(15-35)32-14-18/h3-14,17,35H,15-16H2,1-2H3,(H2,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<100n/an/an/an/a



Pharmascience Inc

US Patent


Assay Description
Method B: hBTK kinase is diluted in buffer and all compounds were prepared to 50 final assay concentration in 100% DMSO. This working stock of the c...


US Patent US9822120 (2017)


BindingDB Entry DOI: 10.7270/Q2639S1W
More data for this
Ligand-Target Pair