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BDBM288418 US10087188, Example 23

SMILES: Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)-c1cccc(c1)C(O)=O

InChI Key: InChIKey=AXTDLQHLDPJHID-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 288418   
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))
BDBM288418
PNG
(US10087188, Example 23)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C26H17F3N6O3/c27-26(28,29)18-8-9-31-19(13-18)33-24(36)15-6-4-14(5-7-15)20-21-22(30)32-10-11-35(21)23(34-20)16-2-1-3-17(12-16)25(37)38/h1-13H,(H2,30,32)(H,37,38)(H,31,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.560n/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 US10087188 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WJC
More data for this
Ligand-Target Pair