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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Ephrin type-B receptor 4' and Ligand = 'BDBM50293243'   
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))
BDBM50293243
PNG
(3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimi...)
Show SMILES CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H17ClN6O6S2/c1-32(26,27)25-11-6-10(7-12(8-11)33(20,28)29)22-18-21-5-4-15(24-18)23-16-13(19)2-3-14-17(16)31-9-30-14/h2-8,25H,9H2,1H3,(H2,20,28,29)(H2,21,22,23,24)
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Article
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4


Bioorg Med Chem Lett 18: 5717-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50293243
PNG
(3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimi...)
Show SMILES CS(=O)(=O)Nc1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(N)(=O)=O
Show InChI InChI=1S/C18H17ClN6O6S2/c1-32(26,27)25-11-6-10(7-12(8-11)33(20,28)29)22-18-21-5-4-15(24-18)23-16-13(19)2-3-14-17(16)31-9-30-14/h2-8,25H,9H2,1H3,(H2,20,28,29)(H2,21,22,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.41E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Myc-His-tagged EphB4 expressed in CHOK1 cells assessed as phosphorylation by ELISA


Bioorg Med Chem Lett 18: 5717-21 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.087
BindingDB Entry DOI: 10.7270/Q2N016JJ
More data for this
Ligand-Target Pair