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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 = 'BDBM50340567'   
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))
BDBM50340567
PNG
(CHEMBL1762534 | N2-(3,5-dimorpholinophenyl)-N4-(6-...)
Show SMILES COc1cccc(n1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
Show InChI InChI=1S/C25H31N7O3/c1-30(22-4-3-5-24(28-22)33-2)23-6-7-26-25(29-23)27-19-16-20(31-8-12-34-13-9-31)18-21(17-19)32-10-14-35-15-11-32/h3-7,16-18H,8-15H2,1-2H3,(H,26,27,29)
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of human EPHB4


Bioorg Med Chem Lett 21: 2207-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.009
BindingDB Entry DOI: 10.7270/Q2PK0GGR
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50340567
PNG
(CHEMBL1762534 | N2-(3,5-dimorpholinophenyl)-N4-(6-...)
Show SMILES COc1cccc(n1)N(C)c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
Show InChI InChI=1S/C25H31N7O3/c1-30(22-4-3-5-24(28-22)33-2)23-6-7-26-25(29-23)27-19-16-20(31-8-12-34-13-9-31)18-21(17-19)32-10-14-35-15-11-32/h3-7,16-18H,8-15H2,1-2H3,(H,26,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of human EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 21: 2207-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.009
BindingDB Entry DOI: 10.7270/Q2PK0GGR
More data for this
Ligand-Target Pair