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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM362366'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM362366
PNG
(4-(7-amino-3-{(3R)-1-[(3- methyl-1H-pyrazol-4- yl)...)
Show SMILES Cc1n[nH]cc1C(=O)N1CCC[C@H](C1)c1nn(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccc12
Show InChI InChI=1/C29H26F3N9O2/c1-16-22(14-36-38-16)28(43)40-12-2-3-18(15-40)24-21-9-11-35-26(33)25(21)41(39-24)20-6-4-17(5-7-20)27(42)37-23-13-19(8-10-34-23)29(30,31)32/h4-11,13-14,18H,2-3,12,15H2,1H3,(H2,33,35)(H,36,38)(H,34,37,42)/t18-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
UniChem
Article
US Patent
n/an/a 0.710n/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 US9834554 (2017)


Article DOI: 10.1016/j.bmcl.2005.12.095
More data for this
Ligand-Target Pair