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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 = 'BDBM350162'   
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))
BDBM350162
PNG
((1R,3S)-3-[8-amino-5- chloro-1-(4-{(1R)-1-[3- (dif...)
Show SMILES CC(C)[C@]1(CC[C@@H](C1)c1nc(-c2ccc(cc2)[C@@](C)(O)c2cccc(c2)C(F)F)c2c(N)ncc(Cl)n12)C(O)=O
Show InChI InChI=1S/C30H31ClF2N4O3/c1-16(2)30(28(38)39)12-11-19(14-30)27-36-23(24-26(34)35-15-22(31)37(24)27)17-7-9-20(10-8-17)29(3,40)21-6-4-5-18(13-21)25(32)33/h4-10,13,15-16,19,25,40H,11-12,14H2,1-3H3,(H2,34,35)(H,38,39)/t19-,29+,30+/m0/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 32.3n/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