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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 = 'BDBM174757'   
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))		BDBM174757
PNG
(US9688676, 45 2-((R)-3-(4-amino-2-oxo-3-(4-phenoxy...)
Show SMILES CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2)c1=O)N1[C@]23CC[C@@]12COC3 |r,w:3.2|
Show InChI InChI=1S/C36H37N7O4/c1-34(2,43-35-15-16-36(35,43)23-46-22-35)19-24(20-37)32(44)40-18-6-7-26(21-40)41-29-14-17-39-31(38)30(29)42(33(41)45)25-10-12-28(13-11-25)47-27-8-4-3-5-9-27/h3-5,8-14,17,19,26H,6-7,15-16,18,21-23H2,1-2H3,(H2,38,39)/t26-,35+,36+/m1/s1
PDB
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US Patent
n/an/a 25n/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