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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 = 'BDBM174580'   
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))
BDBM174580
PNG
(US9688676, 28 (R)-2-(3-(4-amino-3-(3-methyl-4-phen...)
Show SMILES Cc1cc(ccc1Oc1ccccc1)-n1c2c(N)nccc2n([C@@H]2CCCN(C2)C(=O)C(=CC(C)(C)N2CCN(CC2)C2COC2)C#N)c1=O |r,w:32.36|
Show InChI InChI=1S/C38H44N8O4/c1-26-20-28(11-12-33(26)50-31-9-5-4-6-10-31)46-34-32(13-14-41-35(34)40)45(37(46)48)29-8-7-15-43(23-29)36(47)27(22-39)21-38(2,3)44-18-16-42(17-19-44)30-24-49-25-30/h4-6,9-14,20-21,29-30H,7-8,15-19,23-25H2,1-3H3,(H2,40,41)/t29-/m1/s1
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/an/a25



PRINCIPIA BIOPHARMA INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of BTK kinase activity of a compound of the pre...


US Patent US9688676 (2017)


BindingDB Entry DOI: 10.7270/Q2XD0ZVX
More data for this
Ligand-Target Pair