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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 = 'BDBM350150'   
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))
BDBM350150
PNG
((1S,3R)-3-[8-amino-1-(4- {(1R)-1-hydroxy-1-[3- (tr...)
Show SMILES C[C@@](O)(c1ccc(cc1)-c1nc(n2ccnc(N)c12)[C@]1(C)CC[C@@](C)(C1)C(O)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N4O3/c1-26(11-12-27(2,16-26)25(37)38)24-35-21(22-23(33)34-13-14-36(22)24)17-7-9-18(10-8-17)28(3,39)19-5-4-6-20(15-19)29(30,31)32/h4-10,13-15,39H,11-12,16H2,1-3H3,(H2,33,34)(H,37,38)/t26-,27+,28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 178n/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 US10208047 (2019)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q2M32XWT
More data for this
Ligand-Target Pair