BindingDB logo
myBDB logout

BDBM351810 US9796716, Compound 54::US9796716, Compound 64

SMILES: Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1

InChI Key: InChIKey=OFCMNTHBKGHLLP-UHFFFAOYSA-N

Data: 2 KI

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 = 351810   
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))
BDBM351810
PNG
(US9796716, Compound 54 | US9796716, Compound 64)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H25FN6O3S/c1-16-30-13-23(38-16)14-36-21-10-18(28)11-22(12-21)37-20-4-2-17(3-5-20)25-24-26(29)31-15-32-27(24)34(33-25)19-6-8-35-9-7-19/h2-5,10-13,15,19H,6-9,14H2,1H3,(H2,29,31,32)
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM351810
PNG
(US9796716, Compound 54 | US9796716, Compound 64)
Show SMILES Cc1ncc(COc2cc(F)cc(Oc3ccc(cc3)-c3nn(C4CCOCC4)c4ncnc(N)c34)c2)s1
Show InChI InChI=1S/C27H25FN6O3S/c1-16-30-13-23(38-16)14-36-21-10-18(28)11-22(12-21)37-20-4-2-17(3-5-20)25-24-26(29)31-15-32-27(24)34(33-25)19-6-8-35-9-7-19/h2-5,10-13,15,19H,6-9,14H2,1H3,(H2,29,31,32)
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