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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 = 'BDBM174576'   
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))		BDBM174576
PNG
(US9688676, 26 (R)-2-(3-(4-amino-3-(3-fluoro-4-phen...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)c(F)c2)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2|
Show InChI InChI=1S/C37H41FN8O4/c1-37(2,44-17-15-42(16-18-44)28-23-49-24-28)20-25(21-39)35(47)43-14-6-7-27(22-43)45-31-12-13-41-34(40)33(31)46(36(45)48)26-10-11-32(30(38)19-26)50-29-8-4-3-5-9-29/h3-5,8-13,19-20,27-28H,6-7,14-18,22-24H2,1-2H3,(H2,40,41)/t27-/m1/s1
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US Patent
n/an/a 3.5n/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