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BDBM351764 US9796716, Compound 10

SMILES: COc1cccc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)c1

InChI Key: InChIKey=LXCNPFXNZXTAON-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 351764   
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))
BDBM351764
PNG
(US9796716, Compound 10)
Show SMILES COc1cccc(COc2cccc(Oc3ccc(cc3)-c3nn(C4CCCC4)c4ncnc(N)c34)c2)c1
Show InChI InChI=1S/C30H29N5O3/c1-36-24-9-4-6-20(16-24)18-37-25-10-5-11-26(17-25)38-23-14-12-21(13-15-23)28-27-29(31)32-19-33-30(27)35(34-28)22-7-2-3-8-22/h4-6,9-17,19,22H,2-3,7-8,18H2,1H3,(H2,31,32,33)
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