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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Fgr' and Ligand = 'BDBM50269557'   
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 Fgr


(Homo sapiens (Human))		BDBM50269557
PNG
(CHEMBL4069387)
Show SMILES CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H27F4N7O2/c1-15(2)27(41)38-10-3-4-17(14-38)25-37-22(23-24(33)35-9-11-39(23)25)19-6-5-16(12-20(19)29)26(40)36-21-13-18(7-8-34-21)28(30,31)32/h5-9,11-13,15,17H,3-4,10,14H2,1-2H3,(H2,33,35)(H,34,36,40)/t17-/m1/s1
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n/an/a 203n/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 FGR (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