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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Ephrin type-B receptor 4' and Ligand = 'BDBM50374167'   
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))
BDBM50374167
PNG
(CHEMBL271967)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1
Show InChI InChI=1S/C18H19N5O2/c1-3-4-10-22-13(12-8-6-5-7-9-12)11-23-14-15(19-17(22)23)21(2)18(25)20-16(14)24/h5-9,11H,3-4,10H2,1-2H3,(H,20,24,25)
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Article
PubMed
n/an/a 538n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) transfected in CHO cells using [gamma-33P]ATP by radiometric assay


J Med Chem 56: 84-96 (2013)


Article DOI: 10.1021/jm301187e
BindingDB Entry DOI: 10.7270/Q2WW7K1S
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50374167
PNG
(CHEMBL271967)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1
Show InChI InChI=1S/C18H19N5O2/c1-3-4-10-22-13(12-8-6-5-7-9-12)11-23-14-15(19-17(22)23)21(2)18(25)20-16(14)24/h5-9,11H,3-4,10H2,1-2H3,(H,20,24,25)
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) by fluorescence-based enzymatic assay


Bioorg Med Chem Lett 25: 2372-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.005
BindingDB Entry DOI: 10.7270/Q28054B4
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50374167
PNG
(CHEMBL271967)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1
Show InChI InChI=1S/C18H19N5O2/c1-3-4-10-22-13(12-8-6-5-7-9-12)11-23-14-15(19-17(22)23)21(2)18(25)20-16(14)24/h5-9,11H,3-4,10H2,1-2H3,(H,20,24,25)
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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by Panvera FRET-based assay


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50374167
PNG
(CHEMBL271967)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1
Show InChI InChI=1S/C18H19N5O2/c1-3-4-10-22-13(12-8-6-5-7-9-12)11-23-14-15(19-17(22)23)21(2)18(25)20-16(14)24/h5-9,11H,3-4,10H2,1-2H3,(H,20,24,25)
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EphB4 (unknown origin) transfected in CHO cells using Z'-LYTE TYR-1 peptide as substrate after 2 hrs by FRET assay


J Med Chem 56: 84-96 (2013)


Article DOI: 10.1021/jm301187e
BindingDB Entry DOI: 10.7270/Q2WW7K1S
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50374167
PNG
(CHEMBL271967)
Show SMILES CCCCn1c(cn2c1nc1n(C)c(=O)[nH]c(=O)c21)-c1ccccc1
Show InChI InChI=1S/C18H19N5O2/c1-3-4-10-22-13(12-8-6-5-7-9-12)11-23-14-15(19-17(22)23)21(2)18(25)20-16(14)24/h5-9,11H,3-4,10H2,1-2H3,(H,20,24,25)
PDB
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



University of Zurich

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by FRET assay


J Med Chem 51: 1179-88 (2008)


Article DOI: 10.1021/jm070654j
BindingDB Entry DOI: 10.7270/Q29Z95RD
More data for this
Ligand-Target Pair