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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 = 'BDBM255282'   
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))
BDBM255282
PNG
(US9481682, 31)
Show SMILES C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1/C27H23F4N7O3/c1-13-19-5-3-15(12-38(19)26(40)41-13)24-36-21(22-23(32)34-8-9-37(22)24)17-4-2-14(10-18(17)28)25(39)35-20-11-16(6-7-33-20)27(29,30)31/h2,4,6-11,13,15,19H,3,5,12H2,1H3,(H2,32,34)(H,33,35,39)/t13-,15-,19+/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0960n/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