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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 = 'BDBM50293241'   
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))
BDBM50293241
PNG
(3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimi...)
Show SMILES CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)C(N)=O
Show InChI InChI=1S/C19H16ClN5O5S/c1-31(27,28)12-7-10(18(21)26)6-11(8-12)23-19-22-5-4-15(25-19)24-16-13(20)2-3-14-17(16)30-9-29-14/h2-8H,9H2,1H3,(H2,21,26)(H2,22,23,24,25)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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))
BDBM50293241
PNG
(3-(4-(5-chlorobenzo[d][1,3]dioxol-4-ylamino)pyrimi...)
Show SMILES CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)C(N)=O
Show InChI InChI=1S/C19H16ClN5O5S/c1-31(27,28)12-7-10(18(21)26)6-11(8-12)23-19-22-5-4-15(25-19)24-16-13(20)2-3-14-17(16)30-9-29-14/h2-8H,9H2,1H3,(H2,21,26)(H2,22,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.22E+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