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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 = 'BDBM174594'   
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))		BDBM174594
PNG
(US9688676, 30 (R)-2-(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)N1CCN(CC1)C1(C)COC1 |r,w:3.2|
Show InChI InChI=1S/C38H44N8O4/c1-37(2,43-18-20-44(21-19-43)38(3)25-49-26-38)22-27(23-39)35(47)42-17-7-8-29(24-42)45-32-15-16-41-34(40)33(32)46(36(45)48)28-11-13-31(14-12-28)50-30-9-5-4-6-10-30/h4-6,9-16,22,29H,7-8,17-21,24-26H2,1-3H3,(H2,40,41)/t29-/m1/s1
PDB
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PC cid
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US Patent
n/an/a 1.5n/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