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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 = 'BDBM288477'   
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))
BDBM288477
PNG
((1S,3R)-3-[8-amino-1- (2-ethoxy-4-{[4- (trifluorom...)
Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@](C)(C(O)=O)C2(C)C)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
Show InChI InChI=1S/C30H31F3N6O4/c1-5-43-20-14-16(26(40)37-21-15-17(9-11-35-21)30(31,32)33)6-7-18(20)22-23-24(34)36-12-13-39(23)25(38-22)19-8-10-29(4,27(41)42)28(19,2)3/h6-7,9,11-15,19H,5,8,10H2,1-4H3,(H2,34,36)(H,41,42)(H,35,37,40)/t19-,29+/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.450n/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