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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 = 'BDBM174561'   
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))		BDBM174561
PNG
(US9688676, 25 (R)-2-(3-(4-amino-3-(4-(2,3-difluoro...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3cccc(F)c3F)cc2)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2|
Show InChI InChI=1S/C37H40F2N8O4/c1-37(2,45-17-15-43(16-18-45)27-22-50-23-27)19-24(20-40)35(48)44-14-4-5-26(21-44)46-30-12-13-42-34(41)33(30)47(36(46)49)25-8-10-28(11-9-25)51-31-7-3-6-29(38)32(31)39/h3,6-13,19,26-27H,4-5,14-18,21-23H2,1-2H3,(H2,41,42)/t26-/m1/s1
PDB
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US Patent
n/an/a 5.40n/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