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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 = 'BDBM255319'   
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))
BDBM255319
PNG
(US9481682, 68)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2C[C@H](O)C(=O)N2C1
Show InChI InChI=1S/C27H24F3N7O3/c28-27(29,30)17-7-8-32-20(11-17)34-25(39)15-3-1-14(2-4-15)21-22-23(31)33-9-10-36(22)24(35-21)16-5-6-18-12-19(38)26(40)37(18)13-16/h1-4,7-11,16,18-19,38H,5-6,12-13H2,(H2,31,33)(H,32,34,39)/t16-,18+,19+/m1/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0810n/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...


Citation and Details
More data for this
Ligand-Target Pair