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BDBM264370 US9714247, 91

SMILES: CCn1c2cc(NC3=NCCS3)ncc2cc(-c2ccccc2)c1=O

InChI Key: InChIKey=KUFCMFJLWQIQLI-UHFFFAOYSA-N

Data: 1 IC50

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 = 264370   
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))
BDBM264370
PNG
(US9714247, 91)
Show SMILES CCn1c2cc(NC3=NCCS3)ncc2cc(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-2-23-16-11-17(22-19-20-8-9-25-19)21-12-14(16)10-15(18(23)24)13-6-4-3-5-7-13/h3-7,10-12H,2,8-9H2,1H3,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a>5.00E+3n/an/an/an/an/an/a



Tolero Pharmaceuticals Inc

US Patent


Assay Description
A concentration of a drug that reduces the observed activity of an enzyme by 50%. An IC50 is not a true affinity constant and the specific value dete...


US Patent US9714247 (2017)


Article DOI: 10.1021/jm960441m
BindingDB Entry DOI: 10.7270/Q2BR8V6C
More data for this
Ligand-Target Pair