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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with Target = 'Ephrin type-A receptor 4 [29-209]'   
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-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223311
PNG
(123C4)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r|
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640 -35.4n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223301
PNG
(120H10)
Show SMILES NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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960 -34.3n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223310
PNG
(123C7)
Show SMILES COc1ccc2c(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c[nH]c2c1 |r|
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1.59E+3 -33.1n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223305
PNG
(123C2)
Show SMILES NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1c[nH]c2ccccc12 |r|
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UniChem
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1.59E+3 -33.1n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223300
PNG
(EphA4-LBC inhibitor, Compound 22)
Show SMILES NCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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2.14E+3 -32.4n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223307
PNG
(123C3)
Show SMILES NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1c[nH]c2ccc(F)cc12 |r|
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2.22E+3 -32.3n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223308
PNG
(123C5)
Show SMILES NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1c[nH]c2ccc(O)cc12 |r|
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2.57E+3 -31.9n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223302
PNG
(123B1)
Show SMILES NCCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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3.04E+3 -31.5n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223309
PNG
(123C6)
Show SMILES NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 |r|
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3.14E+3 -31.4n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223306
PNG
(123C12)
Show SMILES NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1cccc2ccccc12 |r|
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7.67E+3 -29.2n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223303
PNG
(120G1)
Show SMILES NCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1ccncc1)C(N)=O |r|
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1.40E+4 -27.7n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223304
PNG
(120G2)
Show SMILES CC(C)(N)C(C)(C)C(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1ccncc1)C(N)=O |r|
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1.00E+5 -22.8n/an/an/an/an/a7.225



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
For competitive binding assays, 1 mL of 200 mM EphA4-LBD was pre-incubated with the tested compounds at various concentrations in 98 mL of PBS (pH 7....


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223310
PNG
(123C7)
Show SMILES COc1ccc2c(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c[nH]c2c1 |r|
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n/an/an/a 540n/an/an/a6.527



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223308
PNG
(123C5)
Show SMILES NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1c[nH]c2ccc(O)cc12 |r|
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n/an/an/a 2.20E+3n/an/an/a6.527



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223305
PNG
(123C2)
Show SMILES NCCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)NCCc1c[nH]c2ccccc12 |r|
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n/an/an/a 1.10E+3n/an/an/a6.527



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223311
PNG
(123C4)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)[C@H](Cc3ccncc3)NC(=O)[C@H](Cc3ccc(Cl)cc3)NC(=O)[C@H](Cc3c[nH]c4ccc(O)cc34)NC(=O)CCCN)c2c1 |r|
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n/an/an/a 420n/an/an/a6.527



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4 [29-209]


(Homo sapiens (Human))
BDBM223300
PNG
(EphA4-LBC inhibitor, Compound 22)
Show SMILES NCCC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1ccncc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
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n/an/an/a 1.20E+3n/an/an/a6.527



Sanford-Burnham-Prebys Medical Discovery Institute



Assay Description
The purified EphA proteins (EphA4-LBD, EphA3-LBD, and EphA2-LBD) were dissolved in 50 mM potassium phosphate buffer (pH 6.5) containing 100 mM NaCl. ...


Cell Chem Biol 24: 293-305 (2017)


Article DOI: 10.1016/j.chembiol.2017.01.006
BindingDB Entry DOI: 10.7270/Q2GX49FB
More data for this
Ligand-Target Pair