Compile Data Set for Download or QSAR
Found 14 of ki for UniProtKB: P54764
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223311(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
Affinity DataKi:  640nM ΔG°:  -8.44kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223301(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
Affinity DataKi:  960nM ΔG°:  -8.20kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223310(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
Affinity DataKi:  1.59E+3nM ΔG°:  -7.90kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223305(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
Affinity DataKi:  1.59E+3nM ΔG°:  -7.90kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223300(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
Affinity DataKi:  2.14E+3nM ΔG°:  -7.73kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223307(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
Affinity DataKi:  2.22E+3nM ΔG°:  -7.71kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223308(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
Affinity DataKi:  2.57E+3nM ΔG°:  -7.62kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223302(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
Affinity DataKi:  3.04E+3nM ΔG°:  -7.52kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223309(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
Affinity DataKi:  3.14E+3nM ΔG°:  -7.50kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223306(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
Affinity DataKi:  7.67E+3nM ΔG°:  -6.97kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4(Homo sapiens (Human))
Vertex Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50463479(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)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of EphA4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetEphrin type-A receptor 4(Homo sapiens (Human))
Vertex Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50463483(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)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of EphA4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223303(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
Affinity DataKi:  1.40E+4nM ΔG°:  -6.62kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetEphrin type-A receptor 4 [29-209](Homo sapiens (Human))
Sanford Burnham Prebys Medical Discovery Institute

LigandPNGBDBM223304(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
Affinity DataKi:  1.00E+5nM ΔG°:  -5.45kcal/molepH: 7.2 T: 2°CAssay 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....More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid