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BDBM255266 US9481682, 15

SMILES: Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1

InChI Key: InChIKey=AMBDQFJFTZRHLI-ZVOYONDMNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 255266   
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))
BDBM255266
PNG
(US9481682, 15)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C#N)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1/C27H23FN8O2/c28-20-12-16(27(38)33-21-11-15(13-29)7-8-31-21)2-5-19(20)23-24-25(30)32-9-10-35(24)26(34-23)17-1-3-18-4-6-22(37)36(18)14-17/h2,5,7-12,17-18H,1,3-4,6,14H2,(H2,30,32)(H,31,33,38)/t17-,18+/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.210n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...


US Patent US9481682 (2016)


BindingDB Entry DOI: 10.7270/Q2959GGM
More data for this
Ligand-Target Pair