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Compile Data Set for Download or QSAR

Found 15 hits of ki for UniProtKB: P54764   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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 -8.44n/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


(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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640n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01511
BindingDB Entry DOI: 10.7270/Q22Z19M2
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 -8.20n/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 -7.90n/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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1.59E+3 -7.90n/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 -7.73n/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 -7.71n/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 -7.62n/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 -7.52n/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 -7.50n/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 -6.97n/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


(Homo sapiens (Human))
BDBM50463479
PNG
(CHEMBL4249925)
Show SMILES CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
Show InChI InChI=1S/C19H17N5O3S2/c1-29(26,27)24-13-5-2-4-12(8-13)9-17(25)23-19-22-16(11-28-19)15-10-21-18-14(15)6-3-7-20-18/h2-8,10-11,24H,9H2,1H3,(H,20,21)(H,22,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of EphA4 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
More data for this
Ligand-Target Pair
Ephrin type-A receptor 4


(Homo sapiens (Human))
BDBM50463483
PNG
(CHEMBL4245242)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
Show InChI InChI=1S/C26H29N5O2S/c32-24(31-26-30-23(17-34-26)22-16-29-25-21(22)7-2-10-28-25)15-19-4-1-6-20(14-19)33-13-3-5-18-8-11-27-12-9-18/h1-2,4,6-7,10,14,16-18,27H,3,5,8-9,11-13,15H2,(H,28,29)(H,30,31,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of EphA4 (unknown origin)


Bioorg Med Chem Lett 28: 2622-2626 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.040
BindingDB Entry DOI: 10.7270/Q2ZC85HX
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 -6.62n/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 -5.45n/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