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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 = 'BDBM255356'   
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))
BDBM255356
PNG
(US9481682, 106)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc4ccccc4cn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1 |r|
Show InChI InChI=1S/C30H27N7O2/c31-28-27-26(35-29(36(27)14-13-32-28)22-9-10-23-11-12-25(38)37(23)17-22)18-5-7-19(8-6-18)30(39)34-24-15-20-3-1-2-4-21(20)16-33-24/h1-8,13-16,22-23H,9-12,17H2,(H2,31,32)(H,33,34,39)/t22-,23+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.190n/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