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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 = 'BDBM288543'   
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))
BDBM288543
PNG
(4-[8-amino-1-(2- chloro-4-{[4- (trifluoromethyl) p...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3Cl)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C12CCC(CC1)(CC2)C(O)=O
Show InChI InChI=1S/C28H24ClF3N6O3/c29-18-13-15(23(39)36-19-14-16(3-10-34-19)28(30,31)32)1-2-17(18)20-21-22(33)35-11-12-38(21)24(37-20)26-4-7-27(8-5-26,9-6-26)25(40)41/h1-3,10-14H,4-9H2,(H2,33,35)(H,40,41)(H,34,36,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.380n/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 US10087188 (2018)


BindingDB Entry DOI: 10.7270/Q2GF0WJC
More data for this
Ligand-Target Pair