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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ephrin type-B receptor 4' and Ligand = 'BDBM50100384'   
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
Ephrin type-B receptor 4


(Homo sapiens (Human))		BDBM50100384
PNG
(CHEMBL3321819)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(c2)-n2c(N)c(C(N)=O)c3nc4ccccc4nc23)cc(c1)C(F)(F)F |(16.38,-35.15,;16.23,-36.68,;14.9,-37.45,;15.22,-38.96,;16.75,-39.11,;17.37,-37.7,;14.2,-40.11,;12.7,-39.79,;11.68,-40.94,;10.17,-40.62,;9.69,-39.15,;10.72,-38.01,;8.19,-38.83,;7.16,-39.98,;5.65,-39.66,;5.17,-38.19,;3.67,-37.87,;6.2,-37.05,;7.71,-37.37,;5.73,-35.58,;6.63,-34.34,;8.17,-34.34,;5.73,-33.09,;6.2,-31.63,;7.69,-31.23,;5.17,-30.48,;4.26,-33.57,;2.93,-32.8,;1.6,-33.57,;.26,-32.8,;-1.08,-33.57,;-1.08,-35.11,;.26,-35.88,;1.6,-35.11,;2.93,-35.88,;4.26,-35.11,;12.15,-42.4,;13.65,-42.72,;14.68,-41.58,;14.13,-44.19,;13.09,-45.33,;15.63,-44.51,;14.52,-45.67,)|
Show InChI InChI=1S/C30H23F3N8O2/c1-15-7-8-17(29(43)37-19-10-18(30(31,32)33)11-20(12-19)40-13-16(2)36-14-40)9-23(15)41-26(34)24(27(35)42)25-28(41)39-22-6-4-3-5-21(22)38-25/h3-14H,34H2,1-2H3,(H2,35,42)(H,37,43)
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Article
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n/an/a 270n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of phosphorylation of full-length myc-tagged human EphB4 overexpressed in mouse embryonic fibroblasts after 90 mins by sandwich ELISA

J Med Chem 57: 6834-44 (2014)


Article DOI: 10.1021/jm5009242
BindingDB Entry DOI: 10.7270/Q2TQ638D
More data for this
Ligand-Target Pair