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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 = 'BDBM255403'   
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))
BDBM255403
PNG
(US9481682, 154)
Show SMILES Cc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n3c(Cl)cnc(N)c23)s1 |r|
Show InChI InChI=1S/C25H24ClN7O2S/c1-13-10-29-25(36-13)31-24(35)15-4-2-14(3-5-15)20-21-22(27)28-11-18(26)33(21)23(30-20)16-6-7-17-8-9-19(34)32(17)12-16/h2-5,10-11,16-17H,6-9,12H2,1H3,(H2,27,28)(H,29,31,35)/t16-,17+/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/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