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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 = 'BDBM358907'   
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))
BDBM358907
PNG
((6R,8aS)-6-(8-amino-1- {4-[(1R)-1-(3- cyclopropylp...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)c1cccc(c1)C1CC1 |r|
Show InChI InChI=1S/C31H33N5O2/c1-31(38,24-4-2-3-21(17-24)19-5-6-19)23-10-7-20(8-11-23)27-28-29(32)33-15-16-35(28)30(34-27)22-9-12-25-13-14-26(37)36(25)18-22/h2-4,7-8,10-11,15-17,19,22,25,38H,5-6,9,12-14,18H2,1H3,(H2,32,33)/t22-,25+,31-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.0700n/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 US10214546 (2019)


BindingDB Entry DOI: 10.7270/Q24B33MR
More data for this
Ligand-Target Pair