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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase TXK' and Ligand = 'BDBM50269556'   
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 TXK


(Homo sapiens (Human))		BDBM50269556
PNG
(CHEMBL4075954)
Show SMILES CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C27H25F4N7O3/c1-14(2)26(40)37-9-10-41-19(13-37)24-36-21(22-23(32)34-7-8-38(22)24)17-4-3-15(11-18(17)28)25(39)35-20-12-16(5-6-33-20)27(29,30)31/h3-8,11-12,14,19H,9-10,13H2,1-2H3,(H2,32,34)(H,33,35,39)/t19-/m1/s1
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n/an/a 464n/an/an/an/an/an/a



Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com.

Curated by ChEMBL


Assay Description
Inhibition of TXK (unknown origin)

Bioorg Med Chem Lett 27: 3939-3943 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.040
BindingDB Entry DOI: 10.7270/Q2959M2W
More data for this
Ligand-Target Pair