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BDBM50312203 1-(3-(8-(2-(pyridin-4-yl)ethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea::CHEMBL1081061

SMILES: FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCCc3ccncc3)n2)c1

InChI Key: InChIKey=YLUXGJXUXWARJV-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50312203   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50312203
PNG
(1-(3-(8-(2-(pyridin-4-yl)ethylamino)imidazo[1,2-a]...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(c2)-c2cn3ccnc3c(NCCc3ccncc3)n2)c1
Show InChI InChI=1S/C27H22F3N7O/c28-27(29,30)20-4-2-6-22(16-20)35-26(38)34-21-5-1-3-19(15-21)23-17-37-14-13-33-25(37)24(36-23)32-12-9-18-7-10-31-11-8-18/h1-8,10-11,13-17H,9,12H2,(H,32,36)(H2,34,35,38)
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Similars

Article
PubMed
n/an/a 158n/an/an/an/an/an/a



CGI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation by cell based assay


Bioorg Med Chem Lett 19: 6991-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.037
BindingDB Entry DOI: 10.7270/Q2DR2VM3
More data for this
Ligand-Target Pair