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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 = 'BDBM340039'   
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))
BDBM340039
PNG
(1-{3-fluoro-4-[7-(5-methyl-1H-imidazol-2- yl)-1-ox...)
Show SMILES Cc1cnc([nH]1)-c1ccc(c2CNC(=O)c12)-c1ccc(NC(=O)Nc2c(F)c(F)cc(F)c2F)cc1F
Show InChI InChI=1S/C25H16F5N5O2/c1-10-8-31-23(33-10)14-5-4-12(15-9-32-24(36)19(14)15)13-3-2-11(6-16(13)26)34-25(37)35-22-20(29)17(27)7-18(28)21(22)30/h2-8H,9H2,1H3,(H,31,33)(H,32,36)(H2,34,35,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/an/an/an/an/an/a



CrystalGenomics, Inc.

US Patent


Assay Description
In order to evaluate the activity of the compounds of the present invention as a BTK inhibitor, commercially available BTK (Promega) was used for thi...


US Patent US9758508 (2017)

More data for this
Ligand-Target Pair