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PubMed code 20850301

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
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 (EphB4)


(Homo sapiens (Human))
BDBM50329079
PNG
(CHEMBL1270280 | N2-(2,6-dimorpholinopyridin-4-yl)-...)
Show SMILES CN(c1ccnc(Nc2cc(nc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C25H29N9O2/c1-32(21-4-2-3-20-19(21)17-27-31-20)22-5-6-26-25(30-22)28-18-15-23(33-7-11-35-12-8-33)29-24(16-18)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,27,31)(H,26,28,29,30)
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n/an/a 0.900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329070
PNG
(CHEMBL1269858 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H30N8O2/c1-32(24-4-2-3-23-22(24)18-28-31-23)25-5-6-27-26(30-25)29-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-18H,7-14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329080
PNG
(CHEMBL1270378 | N2-(2,6-dimorpholinopyrimidin-4-yl...)
Show SMILES CN(c1ccnc(Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N10O2/c1-32(19-4-2-3-18-17(19)16-26-31-18)21-5-6-25-23(29-21)27-20-15-22(33-7-11-35-12-8-33)30-24(28-20)34-9-13-36-14-10-34/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,25,27,28,29,30)
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n/an/a 2.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50293247
PNG
(CHEMBL468970 | N4-(5-chlorobenzo[d][1,3]dioxol-4-y...)
Show SMILES Clc1ccc2OCOc2c1Nc1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
Show InChI InChI=1S/C25H27ClN6O4/c26-20-1-2-21-24(36-16-35-21)23(20)29-22-3-4-27-25(30-22)28-17-13-18(31-5-9-33-10-6-31)15-19(14-17)32-7-11-34-12-8-32/h1-4,13-15H,5-12,16H2,(H2,27,28,29,30)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329079
PNG
(CHEMBL1270280 | N2-(2,6-dimorpholinopyridin-4-yl)-...)
Show SMILES CN(c1ccnc(Nc2cc(nc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C25H29N9O2/c1-32(21-4-2-3-20-19(21)17-27-31-20)22-5-6-26-25(30-22)28-18-15-23(33-7-11-35-12-8-33)29-24(16-18)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,27,31)(H,26,28,29,30)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329070
PNG
(CHEMBL1269858 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H30N8O2/c1-32(24-4-2-3-23-22(24)18-28-31-23)25-5-6-27-26(30-25)29-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-18H,7-14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329065
PNG
(CHEMBL1271187 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C25H28N8O2/c1-2-22(21-17-27-31-23(21)3-1)29-24-4-5-26-25(30-24)28-18-14-19(32-6-10-34-11-7-32)16-20(15-18)33-8-12-35-13-9-33/h1-5,14-17H,6-13H2,(H,27,31)(H2,26,28,29,30)
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329076
PNG
(CHEMBL1270182 | N-(3-(4-((1H-indazol-4-yl)(methyl)...)
Show SMILES CN(c1ccnc(Nc2cccc(NS(C)(=O)=O)c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H19N7O2S/c1-26(17-8-4-7-16-15(17)12-21-24-16)18-9-10-20-19(23-18)22-13-5-3-6-14(11-13)25-29(2,27)28/h3-12,25H,1-2H3,(H,21,24)(H,20,22,23)
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n/an/a 13n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50293247
PNG
(CHEMBL468970 | N4-(5-chlorobenzo[d][1,3]dioxol-4-y...)
Show SMILES Clc1ccc2OCOc2c1Nc1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
Show InChI InChI=1S/C25H27ClN6O4/c26-20-1-2-21-24(36-16-35-21)23(20)29-22-3-4-27-25(30-22)28-17-13-18(31-5-9-33-10-6-31)15-19(14-17)32-7-11-34-12-8-32/h1-4,13-15H,5-12,16H2,(H2,27,28,29,30)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329072
PNG
((3-(4-((1H-indazol-4-yl)(methyl)amino)pyrimidin-2-...)
Show SMILES CN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H18N6O/c1-25(17-7-3-6-16-15(17)11-21-24-16)18-8-9-20-19(23-18)22-14-5-2-4-13(10-14)12-26/h2-11,26H,12H2,1H3,(H,21,24)(H,20,22,23)
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n/an/a 21n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329080
PNG
(CHEMBL1270378 | N2-(2,6-dimorpholinopyrimidin-4-yl...)
Show SMILES CN(c1ccnc(Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N10O2/c1-32(19-4-2-3-18-17(19)16-26-31-18)21-5-6-25-23(29-21)27-20-15-22(33-7-11-35-12-8-33)30-24(28-20)34-9-13-36-14-10-34/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,25,27,28,29,30)
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM25226
PNG
(2,4-Pyrimidine derivative, 28 | 4-N-(5-chloro-2H-1...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
Show InChI InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329074
PNG
(3-(4-((1H-indazol-4-yl)(methyl)amino)pyrimidin-2-y...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nccc(n2)N(C)c2cccc3[nH]ncc23)c1
Show InChI InChI=1S/C21H21N7O/c1-27(2)20(29)14-6-4-7-15(12-14)24-21-22-11-10-19(25-21)28(3)18-9-5-8-17-16(18)13-23-26-17/h4-13H,1-3H3,(H,23,26)(H,22,24,25)
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329053
PNG
(CHEMBL1270569 | N4-(benzo[d][1,3]dioxol-4-yl)-N2-(...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4OCOc34)n2)c1
Show InChI InChI=1S/C18H16N4O4S/c1-27(23,24)13-5-2-4-12(10-13)20-18-19-9-8-16(22-18)21-14-6-3-7-15-17(14)26-11-25-15/h2-10H,11H2,1H3,(H2,19,20,21,22)
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n/an/a 34n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329061
PNG
(CHEMBL1270976 | N4-(5-chlorobenzo[d][1,3]dioxol-4-...)
Show SMILES CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
Show InChI InChI=1S/C19H17ClN4O4S/c1-24(17-14(20)6-7-15-18(17)28-11-27-15)16-8-9-21-19(23-16)22-12-4-3-5-13(10-12)29(2,25)26/h3-10H,11H2,1-2H3,(H,21,22,23)
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n/an/a 36n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329069
PNG
(CHEMBL1271394 | N4-(1H-indazol-4-yl)-N4-methyl-N2-...)
Show SMILES CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H18N6O2S/c1-25(17-8-4-7-16-15(17)12-21-24-16)18-9-10-20-19(23-18)22-13-5-3-6-14(11-13)28(2,26)27/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
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n/an/a 36n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329061
PNG
(CHEMBL1270976 | N4-(5-chlorobenzo[d][1,3]dioxol-4-...)
Show SMILES CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
Show InChI InChI=1S/C19H17ClN4O4S/c1-24(17-14(20)6-7-15-18(17)28-11-27-15)16-8-9-21-19(23-16)22-12-4-3-5-13(10-12)29(2,25)26/h3-10H,11H2,1-2H3,(H,21,22,23)
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n/an/a 42n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329069
PNG
(CHEMBL1271394 | N4-(1H-indazol-4-yl)-N4-methyl-N2-...)
Show SMILES CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H18N6O2S/c1-25(17-8-4-7-16-15(17)12-21-24-16)18-9-10-20-19(23-18)22-13-5-3-6-14(11-13)28(2,26)27/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
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n/an/a 51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329078
PNG
(CHEMBL1270279 | N4-(3-chloro-1H-indazol-4-yl)-N2-(...)
Show SMILES Clc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
Show InChI InChI=1S/C25H27ClN8O2/c26-24-23-20(2-1-3-21(23)31-32-24)29-22-4-5-27-25(30-22)28-17-14-18(33-6-10-35-11-7-33)16-19(15-17)34-8-12-36-13-9-34/h1-5,14-16H,6-13H2,(H,31,32)(H2,27,28,29,30)
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n/an/a 55n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50329070
PNG
(CHEMBL1269858 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H30N8O2/c1-32(24-4-2-3-23-22(24)18-28-31-23)25-5-6-27-26(30-25)29-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-18H,7-14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta phosphorylation in human MG63 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329059
PNG
(CHEMBL1236772 | GTC000121A | N4-(1H-indazol-4-yl)-...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)
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n/an/a 61n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329077
PNG
(CHEMBL1270183 | N2-(3,5-dimorpholinophenyl)-N4-(3-...)
Show SMILES Cc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
Show InChI InChI=1S/C26H30N8O2/c1-18-25-22(3-2-4-23(25)32-31-18)29-24-5-6-27-26(30-24)28-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,31,32)(H2,27,28,29,30)
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n/an/a 67n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329075
PNG
(CHEMBL1270076 | GTC000161A | N-(3-(4-(1H-indazol-4...)
Show SMILES CS(=O)(=O)Nc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C18H17N7O2S/c1-28(26,27)25-13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11,25H,1H3,(H,20,24)(H2,19,21,22,23)
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n/an/a 84n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329066
PNG
(CHEMBL1271287 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4cn[nH]c34)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C25H28N8O2/c1-2-18-17-27-31-24(18)22(3-1)29-23-4-5-26-25(30-23)28-19-14-20(32-6-10-34-11-7-32)16-21(15-19)33-8-12-35-13-9-33/h1-5,14-17H,6-13H2,(H,27,31)(H2,26,28,29,30)
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n/an/a 89n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329062
PNG
(2-((5-chlorobenzo[d][1,3]dioxol-4-yl)(2-(3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CC#N)c2c3OCOc3ccc2Cl)c1
Show InChI InChI=1S/C20H16ClN5O4S/c1-31(27,28)14-4-2-3-13(11-14)24-20-23-9-7-17(25-20)26(10-8-22)18-15(21)5-6-16-19(18)30-12-29-16/h2-7,9,11H,10,12H2,1H3,(H,23,24,25)
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n/an/a 95n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329068
PNG
(CHEMBL1271393 | N4-(1H-benzo[d][1,2,3]triazol-4-yl...)
Show SMILES C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4nn[nH]c34)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C24H27N9O2/c1-2-20(23-21(3-1)29-31-30-23)27-22-4-5-25-24(28-22)26-17-14-18(32-6-10-34-11-7-32)16-19(15-17)33-8-12-35-13-9-33/h1-5,14-16H,6-13H2,(H,29,30,31)(H2,25,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329067
PNG
(CHEMBL1271288 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4[nH]ccc34)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C26H29N7O2/c1-2-23-22(4-6-27-23)24(3-1)30-25-5-7-28-26(31-25)29-19-16-20(32-8-12-34-13-9-32)18-21(17-19)33-10-14-35-15-11-33/h1-7,16-18,27H,8-15H2,(H2,28,29,30,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329064
PNG
(2-((5-chlorobenzo[d][1,3]dioxol-4-yl)(2-(3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CCO)c2c3OCOc3ccc2Cl)c1
Show InChI InChI=1S/C20H19ClN4O5S/c1-31(27,28)14-4-2-3-13(11-14)23-20-22-8-7-17(24-20)25(9-10-26)18-15(21)5-6-16-19(18)30-12-29-16/h2-8,11,26H,9-10,12H2,1H3,(H,22,23,24)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329053
PNG
(CHEMBL1270569 | N4-(benzo[d][1,3]dioxol-4-yl)-N2-(...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4OCOc34)n2)c1
Show InChI InChI=1S/C18H16N4O4S/c1-27(23,24)13-5-2-4-12(10-13)20-18-19-9-8-16(22-18)21-14-6-3-7-15-17(14)26-11-25-15/h2-10H,11H2,1H3,(H2,19,20,21,22)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM25226
PNG
(2,4-Pyrimidine derivative, 28 | 4-N-(5-chloro-2H-1...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
Show InChI InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23)
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n/an/a 187n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329064
PNG
(2-((5-chlorobenzo[d][1,3]dioxol-4-yl)(2-(3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CCO)c2c3OCOc3ccc2Cl)c1
Show InChI InChI=1S/C20H19ClN4O5S/c1-31(27,28)14-4-2-3-13(11-14)23-20-22-8-7-17(24-20)25(9-10-26)18-15(21)5-6-16-19(18)30-12-29-16/h2-8,11,26H,9-10,12H2,1H3,(H,22,23,24)
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n/an/a 187n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329062
PNG
(2-((5-chlorobenzo[d][1,3]dioxol-4-yl)(2-(3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(n2)N(CC#N)c2c3OCOc3ccc2Cl)c1
Show InChI InChI=1S/C20H16ClN5O4S/c1-31(27,28)14-4-2-3-13(11-14)24-20-23-9-7-17(25-20)26(10-8-22)18-15(21)5-6-16-19(18)30-12-29-16/h2-7,9,11H,10,12H2,1H3,(H,23,24,25)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329071
PNG
((3-(4-(1H-indazol-4-ylamino)pyrimidin-2-ylamino)ph...)
Show SMILES OCc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C18H16N6O/c25-11-12-3-1-4-13(9-12)21-18-19-8-7-17(23-18)22-15-5-2-6-16-14(15)10-20-24-16/h1-10,25H,11H2,(H,20,24)(H2,19,21,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329055
PNG
(CHEMBL1270671 | N4-(benzofuran-7-yl)-N2-(3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ccoc34)n2)c1
Show InChI InChI=1S/C19H16N4O3S/c1-27(24,25)15-6-3-5-14(12-15)21-19-20-10-8-17(23-19)22-16-7-2-4-13-9-11-26-18(13)16/h2-12H,1H3,(H2,20,21,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329057
PNG
(CHEMBL1270773 | N4-(benzo[d]oxazol-7-yl)-N2-(3-(me...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ncoc34)n2)c1
Show InChI InChI=1S/C18H15N5O3S/c1-27(24,25)13-5-2-4-12(10-13)21-18-19-9-8-16(23-18)22-15-7-3-6-14-17(15)26-11-20-14/h2-11H,1H3,(H2,19,21,22,23)
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n/an/a 219n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329078
PNG
(CHEMBL1270279 | N4-(3-chloro-1H-indazol-4-yl)-N2-(...)
Show SMILES Clc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
Show InChI InChI=1S/C25H27ClN8O2/c26-24-23-20(2-1-3-21(23)31-32-24)29-22-4-5-27-25(30-22)28-17-14-18(33-6-10-35-11-7-33)16-19(15-17)34-8-12-36-13-9-34/h1-5,14-16H,6-13H2,(H,31,32)(H2,27,28,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329072
PNG
((3-(4-((1H-indazol-4-yl)(methyl)amino)pyrimidin-2-...)
Show SMILES CN(c1ccnc(Nc2cccc(CO)c2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C19H18N6O/c1-25(17-7-3-6-16-15(17)11-21-24-16)18-8-9-20-19(23-18)22-14-5-2-4-13(10-14)12-26/h2-11,26H,12H2,1H3,(H,21,24)(H,20,22,23)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50329070
PNG
(CHEMBL1269858 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H30N8O2/c1-32(24-4-2-3-23-22(24)18-28-31-23)25-5-6-27-26(30-25)29-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-18H,7-14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 240n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of KDR phosphorylation in HUVEC


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329073
PNG
(3-(4-(1H-indazol-4-ylamino)pyrimidin-2-ylamino)-N,...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C20H19N7O/c1-27(2)19(28)13-5-3-6-14(11-13)23-20-21-10-9-18(25-20)24-16-7-4-8-17-15(16)12-22-26-17/h3-12H,1-2H3,(H,22,26)(H2,21,23,24,25)
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n/an/a 246n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329063
PNG
(CHEMBL1271082 | N4-(5-chlorobenzo[d][1,3]dioxol-4-...)
Show SMILES COCCN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
Show InChI InChI=1S/C21H21ClN4O5S/c1-29-11-10-26(19-16(22)6-7-17-20(19)31-13-30-17)18-8-9-23-21(25-18)24-14-4-3-5-15(12-14)32(2,27)28/h3-9,12H,10-11,13H2,1-2H3,(H,23,24,25)
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n/an/a 246n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329054
PNG
(CHEMBL1270670 | N4-(6-chlorobenzofuran-7-yl)-N2-(3...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4ccoc34)n2)c1
Show InChI InChI=1S/C19H15ClN4O3S/c1-28(25,26)14-4-2-3-13(11-14)22-19-21-9-7-16(24-19)23-17-15(20)6-5-12-8-10-27-18(12)17/h2-11H,1H3,(H2,21,22,23,24)
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329065
PNG
(CHEMBL1271187 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C25H28N8O2/c1-2-22(21-17-27-31-23(21)3-1)29-24-4-5-26-25(30-24)28-18-14-19(32-6-10-34-11-7-32)16-20(15-18)33-8-12-35-13-9-33/h1-5,14-17H,6-13H2,(H,27,31)(H2,26,28,29,30)
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n/an/a 302n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329063
PNG
(CHEMBL1271082 | N4-(5-chlorobenzo[d][1,3]dioxol-4-...)
Show SMILES COCCN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1c2OCOc2ccc1Cl
Show InChI InChI=1S/C21H21ClN4O5S/c1-29-11-10-26(19-16(22)6-7-17-20(19)31-13-30-17)18-8-9-23-21(25-18)24-14-4-3-5-15(12-14)32(2,27)28/h3-9,12H,10-11,13H2,1-2H3,(H,23,24,25)
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n/an/a 378n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329081
PNG
(CHEMBL1270379 | N2-(4,6-dimorpholinopyrimidin-2-yl...)
Show SMILES CN(c1ccnc(Nc2nc(cc(n2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N10O2/c1-32(19-4-2-3-18-17(19)16-26-31-18)20-5-6-25-23(27-20)30-24-28-21(33-7-11-35-12-8-33)15-22(29-24)34-9-13-36-14-10-34/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,25,27,28,29,30)
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n/an/a 432n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329074
PNG
(3-(4-((1H-indazol-4-yl)(methyl)amino)pyrimidin-2-y...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nccc(n2)N(C)c2cccc3[nH]ncc23)c1
Show InChI InChI=1S/C21H21N7O/c1-27(2)20(29)14-6-4-7-15(12-14)24-21-22-11-10-19(25-21)28(3)18-9-5-8-17-16(18)13-23-26-17/h4-13H,1-3H3,(H,23,26)(H,22,24,25)
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n/an/a 453n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329055
PNG
(CHEMBL1270671 | N4-(benzofuran-7-yl)-N2-(3-(methyl...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ccoc34)n2)c1
Show InChI InChI=1S/C19H16N4O3S/c1-27(24,25)15-6-3-5-14(12-15)21-19-20-10-8-17(23-19)22-16-7-2-4-13-9-11-26-18(13)16/h2-12H,1H3,(H2,20,21,22,23)
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n/an/a 460n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329077
PNG
(CHEMBL1270183 | N2-(3,5-dimorpholinophenyl)-N4-(3-...)
Show SMILES Cc1n[nH]c2cccc(Nc3ccnc(Nc4cc(cc(c4)N4CCOCC4)N4CCOCC4)n3)c12
Show InChI InChI=1S/C26H30N8O2/c1-18-25-22(3-2-4-23(25)32-31-18)29-24-5-6-27-26(30-24)28-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-17H,7-14H2,1H3,(H,31,32)(H2,27,28,29,30)
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n/an/a 513n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329058
PNG
(CHEMBL1270874 | N4-(benzo[d]oxazol-4-yl)-N2-(3-(me...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ocnc34)n2)c1
Show InChI InChI=1S/C18H15N5O3S/c1-27(24,25)13-5-2-4-12(10-13)21-18-19-9-8-16(23-18)22-14-6-3-7-15-17(14)20-11-26-15/h2-11H,1H3,(H2,19,21,22,23)
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n/an/a 549n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329067
PNG
(CHEMBL1271288 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4[nH]ccc34)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C26H29N7O2/c1-2-23-22(4-6-27-23)24(3-1)30-25-5-7-28-26(31-25)29-19-16-20(32-8-12-34-13-9-32)18-21(17-19)33-10-14-35-15-11-33/h1-7,16-18,27H,8-15H2,(H2,28,29,30,31)
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n/an/a 856n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329054
PNG
(CHEMBL1270670 | N4-(6-chlorobenzofuran-7-yl)-N2-(3...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4ccoc34)n2)c1
Show InChI InChI=1S/C19H15ClN4O3S/c1-28(25,26)14-4-2-3-13(11-14)22-19-21-9-7-16(24-19)23-17-15(20)6-5-12-8-10-27-18(12)17/h2-11H,1H3,(H2,21,22,23,24)
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n/an/a 897n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50293247
PNG
(CHEMBL468970 | N4-(5-chlorobenzo[d][1,3]dioxol-4-y...)
Show SMILES Clc1ccc2OCOc2c1Nc1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1
Show InChI InChI=1S/C25H27ClN6O4/c26-20-1-2-21-24(36-16-35-21)23(20)29-22-3-4-27-25(30-22)28-17-13-18(31-5-9-33-10-6-31)15-19(14-17)32-7-11-34-12-8-32/h1-4,13-15H,5-12,16H2,(H2,27,28,29,30)
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n/an/a 900n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes by fluorometric assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329060
PNG
(CHEMBL1270975 | N4-(3-chloro-1H-indol-7-yl)-N2-(3-...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4c(Cl)c[nH]c34)n2)c1
Show InChI InChI=1S/C19H16ClN5O2S/c1-28(26,27)13-5-2-4-12(10-13)23-19-21-9-8-17(25-19)24-16-7-3-6-14-15(20)11-22-18(14)16/h2-11,22H,1H3,(H2,21,23,24,25)
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n/an/a 913n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329056
PNG
(CHEMBL1270772 | N4-(2,3-dihydrobenzofuran-7-yl)-N2...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4CCOc34)n2)c1
Show InChI InChI=1S/C19H18N4O3S/c1-27(24,25)15-6-3-5-14(12-15)21-19-20-10-8-17(23-19)22-16-7-2-4-13-9-11-26-18(13)16/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,23)
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n/an/a 1.16E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by acoustic dispensing assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329057
PNG
(CHEMBL1270773 | N4-(benzo[d]oxazol-7-yl)-N2-(3-(me...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ncoc34)n2)c1
Show InChI InChI=1S/C18H15N5O3S/c1-27(24,25)13-5-2-4-12(10-13)21-18-19-9-8-16(23-18)22-15-7-3-6-14-17(15)26-11-20-14/h2-11H,1H3,(H2,19,21,22,23)
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n/an/a 1.35E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329056
PNG
(CHEMBL1270772 | N4-(2,3-dihydrobenzofuran-7-yl)-N2...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4CCOc34)n2)c1
Show InChI InChI=1S/C19H18N4O3S/c1-27(24,25)15-6-3-5-14(12-15)21-19-20-10-8-17(23-19)22-16-7-2-4-13-9-11-26-18(13)16/h2-8,10,12H,9,11H2,1H3,(H2,20,21,22,23)
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n/an/a 1.72E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329058
PNG
(CHEMBL1270874 | N4-(benzo[d]oxazol-4-yl)-N2-(3-(me...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ocnc34)n2)c1
Show InChI InChI=1S/C18H15N5O3S/c1-27(24,25)13-5-2-4-12(10-13)21-18-19-9-8-16(23-18)22-14-6-3-7-15-17(14)20-11-26-15/h2-11H,1H3,(H2,19,21,22,23)
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n/an/a 1.76E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329059
PNG
(CHEMBL1236772 | GTC000121A | N4-(1H-indazol-4-yl)-...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C18H16N6O2S/c1-27(25,26)13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11H,1H3,(H,20,24)(H2,19,21,22,23)
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n/an/a 2.53E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM25226
PNG
(2,4-Pyrimidine derivative, 28 | 4-N-(5-chloro-2H-1...)
Show SMILES CS(=O)(=O)c1cccc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)c1
Show InChI InChI=1S/C18H15ClN4O4S/c1-28(24,25)12-4-2-3-11(9-12)21-18-20-8-7-15(23-18)22-16-13(19)5-6-14-17(16)27-10-26-14/h2-9H,10H2,1H3,(H2,20,21,22,23)
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n/an/a 2.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes by fluorometric assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329066
PNG
(CHEMBL1271287 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4cn[nH]c34)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C25H28N8O2/c1-2-18-17-27-31-24(18)22(3-1)29-23-4-5-26-25(30-23)28-19-14-20(32-6-10-34-11-7-32)16-21(15-19)33-8-12-35-13-9-33/h1-5,14-17H,6-13H2,(H,27,31)(H2,26,28,29,30)
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n/an/a 3.50E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329071
PNG
((3-(4-(1H-indazol-4-ylamino)pyrimidin-2-ylamino)ph...)
Show SMILES OCc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C18H16N6O/c25-11-12-3-1-4-13(9-12)21-18-19-8-7-17(23-18)22-15-5-2-6-16-14(15)10-20-24-16/h1-10,25H,11H2,(H,20,24)(H2,19,21,22,23)
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n/an/a 4.40E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50329070
PNG
(CHEMBL1269858 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H30N8O2/c1-32(24-4-2-3-23-22(24)18-28-31-23)25-5-6-27-26(30-25)29-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-18H,7-14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 5.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes by fluorometric assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50329070
PNG
(CHEMBL1269858 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H30N8O2/c1-32(24-4-2-3-23-22(24)18-28-31-23)25-5-6-27-26(30-25)29-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-18H,7-14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a 5.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes by fluorometric assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329075
PNG
(CHEMBL1270076 | GTC000161A | N-(3-(4-(1H-indazol-4...)
Show SMILES CS(=O)(=O)Nc1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C18H17N7O2S/c1-28(26,27)25-13-5-2-4-12(10-13)21-18-19-9-8-17(23-18)22-15-6-3-7-16-14(15)11-20-24-16/h2-11,25H,1H3,(H,20,24)(H2,19,21,22,23)
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n/an/a 8.42E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329068
PNG
(CHEMBL1271393 | N4-(1H-benzo[d][1,2,3]triazol-4-yl...)
Show SMILES C1CN(CCO1)c1cc(Nc2nccc(Nc3cccc4nn[nH]c34)n2)cc(c1)N1CCOCC1
Show InChI InChI=1S/C24H27N9O2/c1-2-20(23-21(3-1)29-31-30-23)27-22-4-5-25-24(28-22)26-17-14-18(32-6-10-34-11-7-32)16-19(15-17)33-8-12-35-13-9-33/h1-5,14-16H,6-13H2,(H,29,30,31)(H2,25,26,27,28)
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n/an/a 8.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50329070
PNG
(CHEMBL1269858 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H30N8O2/c1-32(24-4-2-3-23-22(24)18-28-31-23)25-5-6-27-26(30-25)29-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-18H,7-14H2,1H3,(H,28,31)(H,27,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes by fluorometric assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50329070
PNG
(CHEMBL1269858 | N2-(3,5-dimorpholinophenyl)-N4-(1H...)
Show SMILES CN(c1ccnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C26H30N8O2/c1-32(24-4-2-3-23-22(24)18-28-31-23)25-5-6-27-26(30-25)29-19-15-20(33-7-11-35-12-8-33)17-21(16-19)34-9-13-36-14-10-34/h2-6,15-18H,7-14H2,1H3,(H,28,31)(H,27,29,30)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes by fluorometric assay


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329073
PNG
(3-(4-(1H-indazol-4-ylamino)pyrimidin-2-ylamino)-N,...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nccc(Nc3cccc4[nH]ncc34)n2)c1
Show InChI InChI=1S/C20H19N7O/c1-27(2)19(28)13-5-3-6-14(11-13)23-20-21-10-9-18(25-20)24-16-7-4-8-17-15(16)12-22-26-17/h3-12H,1-2H3,(H,22,26)(H2,21,23,24,25)
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n/an/a 1.04E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50329081
PNG
(CHEMBL1270379 | N2-(4,6-dimorpholinopyrimidin-2-yl...)
Show SMILES CN(c1ccnc(Nc2nc(cc(n2)N2CCOCC2)N2CCOCC2)n1)c1cccc2[nH]ncc12
Show InChI InChI=1S/C24H28N10O2/c1-32(19-4-2-3-18-17(19)16-26-31-18)20-5-6-25-23(27-20)30-24-28-21(33-7-11-35-12-8-33)15-22(29-24)34-9-13-36-14-10-34/h2-6,15-16H,7-14H2,1H3,(H,26,31)(H,25,27,28,29,30)
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n/an/a 1.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of EphB4 autophosphorylation expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 6242-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.100
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%