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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 = 'BDBM174894'   
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))		BDBM174894
PNG
(US9688676, 66 (R)-2-(3-(4-amino-2-oxo-3-(4-phenoxy...)
Show SMILES COCC1(CCOCC1)\C=C(\C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)c(F)c2)c1=O |r|
Show InChI InChI=1S/C34H35FN6O5/c1-44-22-34(12-16-45-17-13-34)19-23(20-36)32(42)39-15-5-6-25(21-39)40-28-11-14-38-31(37)30(28)41(33(40)43)24-9-10-29(27(35)18-24)46-26-7-3-2-4-8-26/h2-4,7-11,14,18-19,25H,5-6,12-13,15-17,21-22H2,1H3,(H2,37,38)/b23-19-/t25-/m1/s1
PDB
MMDB

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US Patent
n/an/a 2n/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