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PubChem AID 835

Compile data set for download or QSAR
Found 128 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))
BDBM32050
PNG
(MLS000080844 | SMR000044769 | cid_663844)
Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2
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n/an/a 800n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41501
PNG
(3-Methyl-1-phenethylamino-3H-naphtho[1,2,3-de]quin...)
Show SMILES Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCc4ccccc4)c1=O)c23
Show InChI InChI=1S/C25H20N2O2/c1-27-20-13-7-12-19-21(20)22(17-10-5-6-11-18(17)24(19)28)23(25(27)29)26-15-14-16-8-3-2-4-9-16/h2-13,26H,14-15H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50056938
PNG
(2,6,7-Trihydroxy-9-methyl-xanthen-3-one | CHEMBL17...)
Show SMILES Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
Show InChI InChI=1S/C14H10O5/c1-6-7-2-9(15)11(17)4-13(7)19-14-5-12(18)10(16)3-8(6)14/h2-5,15-17H,1H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41474
PNG
(MLS000103371 | SMR000017250 | cid_1789058)
Show SMILES COCCCNc1c2-c3ccccc3C(=O)c3cccc([nH]c1=O)c23
Show InChI InChI=1S/C20H18N2O3/c1-25-11-5-10-21-18-17-12-6-2-3-7-13(12)19(23)14-8-4-9-15(16(14)17)22-20(18)24/h2-4,6-9,21H,5,10-11H2,1H3,(H,22,24)
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n/an/a 5.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM32006
PNG
(1-(2-Hydroxy-ethylamino)-3-methyl-3H-naphtho[1,2,3...)
Show SMILES Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCO)c1=O)c23
Show InChI InChI=1S/C19H16N2O3/c1-21-14-8-4-7-13-15(14)16(17(19(21)24)20-9-10-22)11-5-2-3-6-12(11)18(13)23/h2-8,20,22H,9-10H2,1H3
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n/an/a 8.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM32068
PNG
(1-ethyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,...)
Show SMILES CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C25H22N6O2S/c1-3-30-21-11-10-17(24(32)33)13-19(21)27-22(30)15-34-25-29-28-23(18-8-6-12-26-14-18)31(25)20-9-5-4-7-16(20)2/h4-14H,3,15H2,1-2H3,(H,32,33)
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM40712
PNG
(4-chloranyl-N-[(2-oxidanylideneacenaphthylen-1-yli...)
Show SMILES Clc1ccc(cc1)C(=O)NN=c1c2cccc3cccc(c23)c1=O
Show InChI InChI=1S/C19H11ClN2O2/c20-13-9-7-12(8-10-13)19(24)22-21-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)23/h1-10H,(H,22,24)
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n/an/a 1.78E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM32074
PNG
(1-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfa...)
Show SMILES CCn1c(CSc2nnc3ccccn23)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C17H15N5O2S/c1-2-21-13-7-6-11(16(23)24)9-12(13)18-15(21)10-25-17-20-19-14-5-3-4-8-22(14)17/h3-9H,2,10H2,1H3,(H,23,24)
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n/an/a 2.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM39880
PNG
(1-(ethylamino)-3-methyl-3H-naphtho[1,2,3-de]quinol...)
Show SMILES CCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
Show InChI InChI=1S/C19H16N2O2/c1-3-20-17-16-11-7-4-5-8-12(11)18(22)13-9-6-10-14(15(13)16)21(2)19(17)23/h4-10,20H,3H2,1-2H3
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n/an/a 2.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM33429
PNG
(MLS000082068 | N-[5,7-bis(4-chlorophenyl)-1,5,6,7-...)
Show SMILES Clc1ccc(cc1)C1CC(c2ccc(Cl)cc2)n2nc(NC(=O)c3ccco3)nc2N1
Show InChI InChI=1S/C22H17Cl2N5O2/c23-15-7-3-13(4-8-15)17-12-18(14-5-9-16(24)10-6-14)29-22(25-17)27-21(28-29)26-20(30)19-2-1-11-31-19/h1-11,17-18H,12H2,(H2,25,26,27,28,30)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41443
PNG
(MLS000060380 | N-(2,5-diethoxy-4-morpholin-4-yl-ph...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
Show InChI InChI=1S/C25H29N3O5/c1-3-31-22-16-20(28-11-13-30-14-12-28)23(32-4-2)15-19(22)27-24(29)17-33-21-9-5-7-18-8-6-10-26-25(18)21/h5-10,15-16H,3-4,11-14,17H2,1-2H3,(H,27,29)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM39381
PNG
(2-[[3-cyano-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetra...)
Show SMILES COC(=O)CSC1=NC2=C(C(C1C#N)c1ccc(C)cc1)C(=O)CCC2
Show InChI InChI=1S/C20H20N2O3S/c1-12-6-8-13(9-7-12)18-14(10-21)20(26-11-17(24)25-2)22-15-4-3-5-16(23)19(15)18/h6-9,14,18H,3-5,11H2,1-2H3
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41454
PNG
(4-[2-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl...)
Show SMILES CCOC(=O)N1CCC(CC1)n1c(SCC(=O)NCCC2=CCCCC2)nc2ccccc2c1=O
Show InChI InChI=1S/C26H34N4O4S/c1-2-34-26(33)29-16-13-20(14-17-29)30-24(32)21-10-6-7-11-22(21)28-25(30)35-18-23(31)27-15-12-19-8-4-3-5-9-19/h6-8,10-11,20H,2-5,9,12-18H2,1H3,(H,27,31)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41458
PNG
(MLS000043717 | SMR000020729 | cid_1523649 | ethyl ...)
Show SMILES CCOC(=O)c1c(C)oc2c1c1CN(Cc3cccnc3)COc1c1ccccc21
Show InChI InChI=1S/C24H22N2O4/c1-3-28-24(27)20-15(2)30-23-18-9-5-4-8-17(18)22-19(21(20)23)13-26(14-29-22)12-16-7-6-10-25-11-16/h4-11H,3,12-14H2,1-2H3
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41475
PNG
(2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2...)
Show SMILES CCCc1nnc(NC(=O)CNc2ccc(F)cc2)s1
Show InChI InChI=1S/C13H15FN4OS/c1-2-3-12-17-18-13(20-12)16-11(19)8-15-10-6-4-9(14)5-7-10/h4-7,15H,2-3,8H2,1H3,(H,16,18,19)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM40318
PNG
(1-cyclohexyl-3-(1-phenylethyl)-2,5-pyrrolidinedion...)
Show SMILES CC(C1CC(=O)N(C2CCCCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C18H23NO2/c1-13(14-8-4-2-5-9-14)16-12-17(20)19(18(16)21)15-10-6-3-7-11-15/h2,4-5,8-9,13,15-16H,3,6-7,10-12H2,1H3
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41493
PNG
(2-[3-[5-chloranyl-4-[(4-methylphenyl)amino]-6-oxid...)
Show SMILES Cc1ccc(Nc2cnn(c(=O)c2Cl)C23CC4CC(CC(CC(O)=O)(C4)C2)C3)cc1
Show InChI InChI=1S/C23H26ClN3O3/c1-14-2-4-17(5-3-14)26-18-12-25-27(21(30)20(18)24)23-9-15-6-16(10-23)8-22(7-15,13-23)11-19(28)29/h2-5,12,15-16,26H,6-11,13H2,1H3,(H,28,29)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41511
PNG
((2-anilino-2-oxoethyl) 4-chloro-1-methylpyrazole-3...)
Show SMILES Cn1cc(Cl)c(n1)C(=O)OCC(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12ClN3O3/c1-17-7-10(14)12(16-17)13(19)20-8-11(18)15-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,15,18)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41517
PNG
(3,4-Dimethoxy-benzoic acid (3-benzo[1,3]dioxol-5-y...)
Show SMILES COc1ccc(cc1OC)C(=O)NN=C1SCC(=O)N1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H19N3O6S/c1-26-14-6-4-13(8-16(14)27-2)19(25)21-22-20-23(18(24)10-30-20)9-12-3-5-15-17(7-12)29-11-28-15/h3-8H,9-11H2,1-2H3,(H,21,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41520
PNG
(3-chlorobenzenecarbaldehyde N-(4-quinazolinyl)hydr...)
Show SMILES Clc1cccc(CN=Nc2ncnc3ccccc23)c1
Show InChI InChI=1S/C15H11ClN4/c16-12-5-3-4-11(8-12)9-19-20-15-13-6-1-2-7-14(13)17-10-18-15/h1-8,10H,9H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41432
PNG
(MLS000077330 | N-(1,3-benzothiazol-2-yl)-2-[(5,5-d...)
Show SMILES CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n12
Show InChI InChI=1S/C21H19N5OS2/c1-21(2)11-13-7-3-4-8-14(13)18-24-25-20(26(18)21)28-12-17(27)23-19-22-15-9-5-6-10-16(15)29-19/h3-10H,11-12H2,1-2H3,(H,22,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41433
PNG
(1-benzylsulfonyl-2-keto-pyrrolidine-3-carboxylic a...)
Show SMILES CCOC(=O)C1CCN(C1=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C14H17NO5S/c1-2-20-14(17)12-8-9-15(13(12)16)21(18,19)10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41434
PNG
(MLS000074093 | N-(3-fluorophenyl)-N-[1-(2-furanyl)...)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)c1csnn1)c1cccc(F)c1)c1ccco1
Show InChI InChI=1S/C20H21FN4O3S/c1-4-20(2,3)22-18(26)17(16-9-6-10-28-16)25(14-8-5-7-13(21)11-14)19(27)15-12-29-24-23-15/h5-12,17H,4H2,1-3H3,(H,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41437
PNG
(MLS000077370 | N-Cyclopentylcarbamoylmethyl-2-(5-p...)
Show SMILES O=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1
Show InChI InChI=1S/C23H26N4O4S2/c28-20(24-17-7-4-5-8-17)14-27(13-19-11-6-12-32-19)22(29)16-33-23-26-25-21(31-23)15-30-18-9-2-1-3-10-18/h1-3,6,9-12,17H,4-5,7-8,13-16H2,(H,24,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41440
PNG
(2-cyano-2-[3-(4-methyl-1-piperazinyl)-2-quinoxalin...)
Show SMILES CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1
Show InChI InChI=1S/C22H29N5O2/c1-3-4-5-8-15-29-22(28)17(16-23)20-21(27-13-11-26(2)12-14-27)25-19-10-7-6-9-18(19)24-20/h6-7,9-10,17H,3-5,8,11-15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41450
PNG
(3-bromanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-(4-m...)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1cc(Br)cc(c1)C(=O)NC1=NCCS1
Show InChI InChI=1S/C16H20BrN3O3S2/c1-11-2-5-20(6-3-11)25(22,23)14-9-12(8-13(17)10-14)15(21)19-16-18-4-7-24-16/h8-11H,2-7H2,1H3,(H,18,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM38379
PNG
(1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-[...)
Show SMILES COCCn1c(C)cc(C(=O)COc2nc3ccccc3nc2C)c1C
Show InChI InChI=1S/C20H23N3O3/c1-13-11-16(15(3)23(13)9-10-25-4)19(24)12-26-20-14(2)21-17-7-5-6-8-18(17)22-20/h5-8,11H,9-10,12H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41464
PNG
(MLS000092946 | N-(3-acetamidophenyl)-2-[[4-(4-meth...)
Show SMILES CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)c1
Show InChI InChI=1S/C25H26N6O2S/c1-17-9-11-21(12-10-17)31-23(15-22-8-5-13-30(22)3)28-29-25(31)34-16-24(33)27-20-7-4-6-19(14-20)26-18(2)32/h4-14H,15-16H2,1-3H3,(H,26,32)(H,27,33)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM30903
PNG
(7-ethyl-1-(2-keto-2-morpholino-ethyl)indole-3-carb...)
Show SMILES CCc1cccc2c(cn(CC(=O)N3CCOCC3)c12)C#N
Show InChI InChI=1S/C17H19N3O2/c1-2-13-4-3-5-15-14(10-18)11-20(17(13)15)12-16(21)19-6-8-22-9-7-19/h3-5,11H,2,6-9,12H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41468
PNG
(4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylmorpho...)
Show SMILES Fc1ccccc1N1CCN(CC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C14H20FN3O3S/c15-13-3-1-2-4-14(13)16-5-7-17(8-6-16)22(19,20)18-9-11-21-12-10-18/h1-4H,5-12H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41482
PNG
(7-Methoxy-3-[[1-(4-methoxy-benzyl)-1H-tetrazol-5-y...)
Show SMILES COc1ccc(Cn2nnnc2C(N2CCC(C)CC2)c2cc3ccc(OC)cc3[nH]c2=O)cc1
Show InChI InChI=1S/C26H30N6O3/c1-17-10-12-31(13-11-17)24(22-14-19-6-9-21(35-3)15-23(19)27-26(22)33)25-28-29-30-32(25)16-18-4-7-20(34-2)8-5-18/h4-9,14-15,17,24H,10-13,16H2,1-3H3,(H,27,33)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41484
PNG
(MLS000528014 | N-(5-Methoxymethyl-[1,3,4]thiadiazo...)
Show SMILES COCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1
Show InChI InChI=1S/C19H19N3O2S/c1-24-13-18-21-22-19(25-18)20-17(23)12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,20,22,23)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41489
PNG
((4Z)-2-(4-fluorophenyl)-4-[(2-methyl-1H-indol-3-yl...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(F)cc1
Show InChI InChI=1S/C19H13FN2O2/c1-11-15(14-4-2-3-5-16(14)21-11)10-17-19(23)24-18(22-17)12-6-8-13(20)9-7-12/h2-10,21H,1H3/b17-10-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41495
PNG
(MLS000520439 | N-(1,3-benzodioxol-5-yl)-3-(4-fluor...)
Show SMILES Fc1ccc(cc1)C1=NOC(C1)C(=O)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C17H13FN2O4/c18-11-3-1-10(2-4-11)13-8-16(24-20-13)17(21)19-12-5-6-14-15(7-12)23-9-22-14/h1-7,16H,8-9H2,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41496
PNG
(1,3-dimethyl-5-(4-phenylpiperazin-1-yl)sulfonyl-py...)
Show SMILES Cn1cc(c(=O)n(C)c1=O)S(=O)(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C16H20N4O4S/c1-17-12-14(15(21)18(2)16(17)22)25(23,24)20-10-8-19(9-11-20)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41498
PNG
(2-(1,3-benzoxazol-2-ylamino)-4-[(4-methyl-1-pipera...)
Show SMILES CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(C)CC1
Show InChI InChI=1S/C20H24N6O3/c1-3-28-18(27)14-12-21-19(22-16(14)13-26-10-8-25(2)9-11-26)24-20-23-15-6-4-5-7-17(15)29-20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,22,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41504
PNG
(2-[2,4-bis(oxidanylidene)-1,3-diazaspiro[4.4]nonan...)
Show SMILES O=C(CN1C(=O)NC2(CCCC2)C1=O)NCCC1=CCCCC1
Show InChI InChI=1S/C17H25N3O3/c21-14(18-11-8-13-6-2-1-3-7-13)12-20-15(22)17(19-16(20)23)9-4-5-10-17/h6H,1-5,7-12H2,(H,18,21)(H,19,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41505
PNG
((4Z)-4-[(2-methyl-1H-indol-3-yl)methylene]-2-[4-(t...)
Show SMILES Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H13F3N2O2/c1-11-15(14-4-2-3-5-16(14)24-11)10-17-19(26)27-18(25-17)12-6-8-13(9-7-12)20(21,22)23/h2-10,24H,1H3/b17-10-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41525
PNG
(1-(4-fluorobenzyl)-3-(2-nitrovinyl)-1H-indole | 1-...)
Show SMILES [O-][N+](=O)\C=C\c1cn(Cc2ccc(F)cc2)c2ccccc12
Show InChI InChI=1S/C17H13FN2O2/c18-15-7-5-13(6-8-15)11-19-12-14(9-10-20(21)22)16-3-1-2-4-17(16)19/h1-10,12H,11H2/b10-9+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41526
PNG
(MLS000581136 | N-(3-chloranyl-4-methyl-phenyl)-2-[...)
Show SMILES CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1
Show InChI InChI=1S/C25H25ClN2O4/c1-4-31-20-13-11-18(12-14-20)27-24(29)17(3)32-23-8-6-5-7-21(23)25(30)28-19-10-9-16(2)22(26)15-19/h5-15,17H,4H2,1-3H3,(H,27,29)(H,28,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41531
PNG
(4-[(2-hydroxy-2-phenyl-ethyl)thiocarbamoylamino]be...)
Show SMILES CCOC(=O)c1ccc(NC(=S)NCC(O)c2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O3S/c1-2-23-17(22)14-8-10-15(11-9-14)20-18(24)19-12-16(21)13-6-4-3-5-7-13/h3-11,16,21H,2,12H2,1H3,(H2,19,20,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41425
PNG
(5-(4-methylphenyl)-1H-pyrrole-2-carboxylic acid | ...)
Show SMILES Cc1ccc(cc1)-c1ccc([nH]1)C(O)=O
Show InChI InChI=1S/C12H11NO2/c1-8-2-4-9(5-3-8)10-6-7-11(13-10)12(14)15/h2-7,13H,1H3,(H,14,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41429
PNG
(3-({Benzyl-[1-(tetrahydro-furan-2-ylmethyl)-1H-tet...)
Show SMILES COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CC3CCCO3)Cc3ccccc3)cc2c1
Show InChI InChI=1S/C25H28N6O3/c1-33-21-9-10-23-19(13-21)12-20(25(32)26-23)15-30(14-18-6-3-2-4-7-18)17-24-27-28-29-31(24)16-22-8-5-11-34-22/h2-4,6-7,9-10,12-13,22H,5,8,11,14-17H2,1H3,(H,26,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41435
PNG
(2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][...)
Show SMILES CN(C)c1nc2OCCn2c(=O)n1
Show InChI InChI=1S/C7H10N4O2/c1-10(2)5-8-6(12)11-3-4-13-7(11)9-5/h3-4H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41438
PNG
(1,3-dimethyl-8-(2-phenylethylamino)-7-prop-2-enyl-...)
Show SMILES Cn1c2nc(NCCc3ccccc3)n(CC=C)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C18H21N5O2/c1-4-12-23-14-15(21(2)18(25)22(3)16(14)24)20-17(23)19-11-10-13-8-6-5-7-9-13/h4-9H,1,10-12H2,2-3H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41444
PNG
(MLS000081705 | SMR000062921 | cid_2366890)
Show SMILES Brc1ccccc1-c1nnc(CN2c3cccc4cccc(c34)S2(=O)=O)o1
Show InChI InChI=1S/C19H12BrN3O3S/c20-14-8-2-1-7-13(14)19-22-21-17(26-19)11-23-15-9-3-5-12-6-4-10-16(18(12)15)27(23,24)25/h1-10H,11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41457
PNG
(4-(4-chloro-N-methyl-anilino)-1-methyl-carbostyril...)
Show SMILES CN(c1ccc(Cl)cc1)c1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C17H15ClN2O/c1-19(13-9-7-12(18)8-10-13)16-11-17(21)20(2)15-6-4-3-5-14(15)16/h3-11H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41459
PNG
(MLS000044497 | N-butyl-2-(2-chlorobenzyl)-1-oxo-1,...)
Show SMILES CCCCNC(=O)C1C2OC3(CN(Cc4ccccc4Cl)C(=O)C13)C=C2
Show InChI InChI=1S/C20H23ClN2O3/c1-2-3-10-22-18(24)16-15-8-9-20(26-15)12-23(19(25)17(16)20)11-13-6-4-5-7-14(13)21/h4-9,15-17H,2-3,10-12H2,1H3,(H,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41463
PNG
(2-(dimethylamino)-4-phenylazanyl-pyridine-3-carbon...)
Show SMILES CN(C)c1nccc(Nc2ccccc2)c1C#N
Show InChI InChI=1S/C14H14N4/c1-18(2)14-12(10-15)13(8-9-16-14)17-11-6-4-3-5-7-11/h3-9H,1-2H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41469
PNG
(7-bromanyl-5-phenyl-4-(2-piperidin-1-ylethanoyl)-3...)
Show SMILES Brc1ccc2NC(=O)CN(C(c3ccccc3)c2c1)C(=O)CN1CCCCC1
Show InChI InChI=1S/C22H24BrN3O2/c23-17-9-10-19-18(13-17)22(16-7-3-1-4-8-16)26(14-20(27)24-19)21(28)15-25-11-5-2-6-12-25/h1,3-4,7-10,13,22H,2,5-6,11-12,14-15H2,(H,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41476
PNG
(5-[(2-keto-3,4,8-trimethyl-chromen-7-yl)oxymethyl]...)
Show SMILES COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)o1
Show InChI InChI=1S/C19H18O6/c1-10-11(2)18(20)25-17-12(3)15(8-6-14(10)17)23-9-13-5-7-16(24-13)19(21)22-4/h5-8H,9H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41477
PNG
(3-[[acetyl(benzyl)amino]methyl]-4-hydroxy-coumaril...)
Show SMILES CCOC(=O)c1oc2cccc(O)c2c1CN(Cc1ccccc1)C(C)=O
Show InChI InChI=1S/C21H21NO5/c1-3-26-21(25)20-16(19-17(24)10-7-11-18(19)27-20)13-22(14(2)23)12-15-8-5-4-6-9-15/h4-11,24H,3,12-13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41481
PNG
(MLS000109827 | N-(2-morpholin-4-ylcarbonylphenyl)p...)
Show SMILES O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccncc1
Show InChI InChI=1S/C17H17N3O3/c21-16(13-5-7-18-8-6-13)19-15-4-2-1-3-14(15)17(22)20-9-11-23-12-10-20/h1-8H,9-12H2,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41507
PNG
(7-[(4-chlorophenyl)-[(5-methyl-1,2-oxazol-3-yl)ami...)
Show SMILES Cc1cc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1
Show InChI InChI=1S/C20H16ClN3O2/c1-12-11-17(24-26-12)23-18(14-4-7-15(21)8-5-14)16-9-6-13-3-2-10-22-19(13)20(16)25/h2-11,18,25H,1H3,(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41428
PNG
(2-{5-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-[1,3,4]ox...)
Show SMILES Cc1cccc(NC(=O)CSc2nnc(o2)-c2ccc(cc2)S(=O)(=O)N2CCCC2)c1
Show InChI InChI=1S/C21H22N4O4S2/c1-15-5-4-6-17(13-15)22-19(26)14-30-21-24-23-20(29-21)16-7-9-18(10-8-16)31(27,28)25-11-2-3-12-25/h4-10,13H,2-3,11-12,14H2,1H3,(H,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM34178
PNG
(6-(2,6-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-y...)
Show SMILES COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H16N6O2S/c1-27-15-9-6-10-16(28-2)17(15)19-25-26-18(23-24-20(26)29-19)14-11-13(21-22-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41447
PNG
(3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2...)
Show SMILES Cc1cc(C)n2nc(SC3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2n1
Show InChI InChI=1S/C20H20FN5O2S/c1-12-11-13(2)26-19(22-12)23-20(24-26)29-16-5-3-4-10-25(18(16)28)17(27)14-6-8-15(21)9-7-14/h6-9,11,16H,3-5,10H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41451
PNG
(MLS000053466 | N-[1-(1H-benzimidazol-2-yl)-2-pheny...)
Show SMILES O=C(NC(Cc1ccccc1)c1nc2ccccc2[nH]1)C1CN(C(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C28H26N4O4/c33-26-15-19(17-32(26)20-10-11-24-25(16-20)36-13-12-35-24)28(34)31-23(14-18-6-2-1-3-7-18)27-29-21-8-4-5-9-22(21)30-27/h1-11,16,19,23H,12-15,17H2,(H,29,30)(H,31,34)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM38963
PNG
(5-(benzoxymethyl)-7-(piperidinomethyl)quinolin-8-o...)
Show SMILES Oc1c(CN2CCCCC2)cc(COCc2ccccc2)c2cccnc12
Show InChI InChI=1S/C23H26N2O2/c26-23-19(15-25-12-5-2-6-13-25)14-20(21-10-7-11-24-22(21)23)17-27-16-18-8-3-1-4-9-18/h1,3-4,7-11,14,26H,2,5-6,12-13,15-17H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41470
PNG
(2-(3-furanyl)-3-(2-phenylethyl)-4-quinazolinone | ...)
Show SMILES O=c1n(CCc2ccccc2)c(nc2ccccc12)-c1ccoc1
Show InChI InChI=1S/C20H16N2O2/c23-20-17-8-4-5-9-18(17)21-19(16-11-13-24-14-16)22(20)12-10-15-6-2-1-3-7-15/h1-9,11,13-14H,10,12H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41471
PNG
(2-hydroxy-1-isobutyl-4-methyl-6-oxo-1,6-dihydro-3-...)
Show SMILES CC(C)Cn1c(O)c(C#N)c(C)cc1=O
Show InChI InChI=1S/C11H14N2O2/c1-7(2)6-13-10(14)4-8(3)9(5-12)11(13)15/h4,7,15H,6H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41472
PNG
(1-(3-ethoxyphenyl)-1,3-diazinane-2,4,6-trione | 1-...)
Show SMILES CCOc1cccc(c1)-n1c(O)cc(=O)[nH]c1=O
Show InChI InChI=1S/C12H12N2O4/c1-2-18-9-5-3-4-8(6-9)14-11(16)7-10(15)13-12(14)17/h3-7,16H,2H2,1H3,(H,13,15,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41485
PNG
(2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid py...)
Show SMILES O=C(Nc1cccnc1)C1COc2ccccc2O1
Show InChI InChI=1S/C14H12N2O3/c17-14(16-10-4-3-7-15-8-10)13-9-18-11-5-1-2-6-12(11)19-13/h1-8,13H,9H2,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41488
PNG
(1-Amino-5,8,8-trimethyl-8,9-dihydro-6H-7-oxa-3-thi...)
Show SMILES CCOC(=O)c1sc2nc(C)c3COC(C)(C)Cc3c2c1N
Show InChI InChI=1S/C16H20N2O3S/c1-5-20-15(19)13-12(17)11-9-6-16(3,4)21-7-10(9)8(2)18-14(11)22-13/h5-7,17H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41506
PNG
(2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(na...)
Show SMILES Cn1cnnc1SCC(=O)Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1
Show InChI InChI=1S/C23H19N5OS3/c1-28-14-24-27-22(28)30-13-21(29)25-17-9-10-19-20(11-17)32-23(26-19)31-12-16-7-4-6-15-5-2-3-8-18(15)16/h2-11,14H,12-13H2,1H3,(H,25,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41519
PNG
(7-methyl-2-phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)...)
Show SMILES Cc1cc(N2CCN(CC2)c2ccccn2)n2cc(nc2n1)-c1ccccc1
Show InChI InChI=1S/C22H22N6/c1-17-15-21(27-13-11-26(12-14-27)20-9-5-6-10-23-20)28-16-19(25-22(28)24-17)18-7-3-2-4-8-18/h2-10,15-16H,11-14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41522
PNG
((E)-N-(2-morpholin-4-ylethyl)-3-(3-nitrophenyl)pro...)
Show SMILES [O-][N+](=O)c1cccc(\C=C\C(=O)NCCN2CCOCC2)c1
Show InChI InChI=1S/C15H19N3O4/c19-15(16-6-7-17-8-10-22-11-9-17)5-4-13-2-1-3-14(12-13)18(20)21/h1-5,12H,6-11H2,(H,16,19)/b5-4+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41523
PNG
(3-methyl-N-(2-phenylethylcarbamothioyl)butanamide ...)
Show SMILES CC(C)CC(=O)NC(=S)NCCc1ccccc1
Show InChI InChI=1S/C14H20N2OS/c1-11(2)10-13(17)16-14(18)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H2,15,16,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41524
PNG
((E)-3-(2-furanyl)-2-[[1-naphthalenyl(oxo)methyl]am...)
Show SMILES OC(=O)C(\NC(=O)c1cccc2ccccc12)=C/c1ccco1
Show InChI InChI=1S/C18H13NO4/c20-17(15-9-3-6-12-5-1-2-8-14(12)15)19-16(18(21)22)11-13-7-4-10-23-13/h1-11H,(H,19,20)(H,21,22)/b16-11+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41528
PNG
((E)-3-(2-chlorophenyl)-N-(phenylmethyl)-2-propenam...)
Show SMILES Clc1ccccc1\C=C\C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14ClNO/c17-15-9-5-4-8-14(15)10-11-16(19)18-12-13-6-2-1-3-7-13/h1-11H,12H2,(H,18,19)/b11-10+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41430
PNG
(3-Methyl-7-(3-methyl-butyl)-8-(2-morpholin-4-yl-et...)
Show SMILES CC(C)CCn1c(SCCN2CCOCC2)nc2n(C)c(=O)[nH]c(=O)c12
Show InChI InChI=1S/C17H27N5O3S/c1-12(2)4-5-22-13-14(20(3)16(24)19-15(13)23)18-17(22)26-11-8-21-6-9-25-10-7-21/h12H,4-11H2,1-3H3,(H,19,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41449
PNG
(2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrole-3-c...)
Show SMILES CSc1cccc(c1)-n1c(C)cc(C(N)=O)c1C
Show InChI InChI=1S/C14H16N2OS/c1-9-7-13(14(15)17)10(2)16(9)11-5-4-6-12(8-11)18-3/h4-8H,1-3H3,(H2,15,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM32076
PNG
(1-ethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]b...)
Show SMILES CCn1c(CSc2nccn2C)nc2cc(ccc12)C(O)=O
Show InChI InChI=1S/C15H16N4O2S/c1-3-19-12-5-4-10(14(20)21)8-11(12)17-13(19)9-22-15-16-6-7-18(15)2/h4-8H,3,9H2,1-2H3,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41453
PNG
(1-(1,3-benzodioxol-5-ylmethyl)-4-{5-[(2-chlorophen...)
Show SMILES Clc1ccccc1OCc1ccc(o1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C24H23ClN2O5/c25-19-3-1-2-4-20(19)29-15-18-6-8-22(32-18)24(28)27-11-9-26(10-12-27)14-17-5-7-21-23(13-17)31-16-30-21/h1-8,13H,9-12,14-16H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41456
PNG
(4-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-3,8-...)
Show InChI InChI=1S/C19H27NO5/c1-13-3-5-18(6-4-13)15(14(2)17(22)25-18)16(21)20-9-7-19(8-10-20)23-11-12-24-19/h13H,3-12H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41462
PNG
(3-[5-[(4-fluorobenzyl)thio]-3-keto-2H-imidazo[1,2-...)
Show SMILES Fc1ccc(CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4ccco4)C(=O)N23)cc1
Show InChI InChI=1S/C25H21FN4O3S/c26-17-9-7-16(8-10-17)15-34-25-29-20-6-2-1-5-19(20)23-28-21(24(32)30(23)25)11-12-22(31)27-14-18-4-3-13-33-18/h1-10,13,21H,11-12,14-15H2,(H,27,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41497
PNG
((3-methyl-6-oxidanylidene-7,8,9,10-tetrahydrobenzo...)
Show SMILES Cc1cc(OC(=O)c2ccco2)c2c3CCCCc3c(=O)oc2c1
Show InChI InChI=1S/C19H16O5/c1-11-9-15-17(12-5-2-3-6-13(12)18(20)23-15)16(10-11)24-19(21)14-7-4-8-22-14/h4,7-10H,2-3,5-6H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41499
PNG
(4-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl...)
Show SMILES OC(=O)CCC(=O)N1CCN(CC1)c1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1
Show InChI InChI=1S/C22H20BrClN4O3/c23-14-5-6-18-16(13-14)21(15-3-1-2-4-17(15)24)26-22(25-18)28-11-9-27(10-12-28)19(29)7-8-20(30)31/h1-6,13H,7-12H2,(H,30,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41503
PNG
(3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-et...)
Show SMILES Cc1cc(C(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)c(C)n1Cc1ccccc1
Show InChI InChI=1S/C30H27N3O3/c1-21-18-26(22(2)32(21)19-23-12-6-3-7-13-23)27(34)20-33-28(35)30(31-29(33)36,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-18H,19-20H2,1-2H3,(H,31,36)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41509
PNG
(3-(1,3-benzothiazol-2-ylhydrazo)-2-indolone | 3-(B...)
Show SMILES O=C1N=c2ccccc2=C1NNc1nc2ccccc2s1
Show InChI InChI=1S/C15H10N4OS/c20-14-13(9-5-1-2-6-10(9)16-14)18-19-15-17-11-7-3-4-8-12(11)21-15/h1-8H,(H,17,19)(H,16,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41510
PNG
(2-(4-chlorophenyl)-3-methyl-butyric acid [2-keto-2...)
Show SMILES CC(C)C(C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H26ClN3O4/c1-15(2)21(17-10-12-18(25)13-11-17)24(31)32-14-20(29)26-22-16(3)27(4)28(23(22)30)19-8-6-5-7-9-19/h5-13,15,21H,14H2,1-4H3,(H,26,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41516
PNG
(4-chloranyl-6-(4-fluorophenyl)sulfanyl-3-phenyl-py...)
Show SMILES Fc1ccc(Sc2cc(Cl)c(nn2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H10ClFN2S/c17-14-10-15(21-13-8-6-12(18)7-9-13)19-20-16(14)11-4-2-1-3-5-11/h1-10H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41424
PNG
(1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[1-(4-ethan...)
Show SMILES CC(=O)c1ccc(cc1)-n1nnnc1SCC(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C20H19N5O2S/c1-14(26)15-6-8-18(9-7-15)25-20(21-22-23-25)28-13-19(27)24-11-10-16-4-2-3-5-17(16)12-24/h2-9H,10-13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41427
PNG
(2,3,4,9-Tetrahydro-carbazol-1-one | 2,3,4,9-tetrah...)
Show SMILES O=C1CCCc2c1[nH]c1ccccc21
Show InChI InChI=1S/C12H11NO/c14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,13H,3,5,7H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41442
PNG
(MLS000053418 | N-(1-propyl-2-benzimidazolyl)-2,3-d...)
Show SMILES CCCn1c(NC(=O)C2COc3ccccc3O2)nc2ccccc12
Show InChI InChI=1S/C19H19N3O3/c1-2-11-22-14-8-4-3-7-13(14)20-19(22)21-18(23)17-12-24-15-9-5-6-10-16(15)25-17/h3-10,17H,2,11-12H2,1H3,(H,20,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41445
PNG
(4-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxoethy...)
Show SMILES COC(=O)c1ccc(NC(=O)CN2CCN(CC2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H22ClN3O3/c1-27-20(26)15-5-7-17(8-6-15)22-19(25)14-23-9-11-24(12-10-23)18-4-2-3-16(21)13-18/h2-8,13H,9-12,14H2,1H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41452
PNG
(1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]-2...)
Show SMILES Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1CC1CCCO1
Show InChI InChI=1S/C21H23FN4O2S2/c1-13-10-16(14(2)26(13)11-15-6-5-9-28-15)19(27)12-29-21-25-24-20(30-21)23-18-8-4-3-7-17(18)22/h3-4,7-8,10,15H,5-6,9,11-12H2,1-2H3,(H,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM38425
PNG
(2,4,5-trimethyl-N-[(3-methyl-6-imidazo[2,1-b]thiaz...)
Show SMILES Cc1csc2nc(CNS(=O)(=O)c3cc(C)c(C)cc3C)cn12
Show InChI InChI=1S/C16H19N3O2S2/c1-10-5-12(3)15(6-11(10)2)23(20,21)17-7-14-8-19-13(4)9-22-16(19)18-14/h5-6,8-9,17H,7H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41461
PNG
(6-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylsulfonyl)-3-(m...)
Show SMILES Oc1c(cnc2ccc(cc12)S(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H25N3O7S/c25-19-16-13-15(32(27,28)24-5-3-21(4-6-24)30-11-12-31-21)1-2-18(16)22-14-17(19)20(26)23-7-9-29-10-8-23/h1-2,13-14H,3-12H2,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM38656
PNG
(6-amino-4-[3-(1-benzotriazolylmethyl)-4-methoxyphe...)
Show SMILES CCCc1[nH]nc2OC(=N)C(C#N)C(c12)c1ccc(OC)c(Cn2nnc3ccccc23)c1
Show InChI InChI=1S/C24H23N7O2/c1-3-6-18-22-21(16(12-25)23(26)33-24(22)29-27-18)14-9-10-20(32-2)15(11-14)13-31-19-8-5-4-7-17(19)28-30-31/h4-5,7-11,16,21,26H,3,6,13H2,1-2H3,(H,27,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM34482
PNG
(2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)-...)
Show SMILES CCCc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1
Show InChI InChI=1S/C14H14N4O4S2/c1-2-5-12-16-17-14(23-12)15-11(19)8-18-13(20)9-6-3-4-7-10(9)24(18,21)22/h3-4,6-7H,2,5,8H2,1H3,(H,15,17,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41473
PNG
(5-[[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]meth...)
Show SMILES CCCc1nnc(SCc2ccc(o2)C(=O)OC)n1N
Show InChI InChI=1S/C12H16N4O3S/c1-3-4-10-14-15-12(16(10)13)20-7-8-5-6-9(19-8)11(17)18-2/h5-6H,3-4,7,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41478
PNG
(MLS000107919 | N-[4-(3,3-dichloroallyloxy)phenyl]a...)
Show SMILES CC(=O)Nc1ccc(OCC=C(Cl)Cl)cc1
Show InChI InChI=1S/C11H11Cl2NO2/c1-8(15)14-9-2-4-10(5-3-9)16-7-6-11(12)13/h2-6H,7H2,1H3,(H,14,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41492
PNG
(4,4,4-trifluoro-3-hydroxy-3-phenyl-1-(2-thienyl)-1...)
Show SMILES OC(CC(=O)c1cccs1)(c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3O2S/c15-14(16,17)13(19,10-5-2-1-3-6-10)9-11(18)12-7-4-8-20-12/h1-8,19H,9H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41494
PNG
(8-tert-butyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-...)
Show SMILES CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccccc1
Show InChI InChI=1S/C18H25NOS/c1-17(2,3)14-9-11-18(12-10-14)19(16(20)13-21-18)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41527
PNG
(1,3-diethyl-5-({[4-(4-morpholinyl)phenyl]amino}met...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=CNc2ccc(cc2)N2CCOCC2)C1=O
Show InChI InChI=1S/C19H24N4O3S/c1-3-22-17(24)16(18(25)23(4-2)19(22)27)13-20-14-5-7-15(8-6-14)21-9-11-26-12-10-21/h5-8,13,20H,3-4,9-12H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41436
PNG
(2-(4-Benzyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-yls...)
Show SMILES O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)NC1CCCC1
Show InChI InChI=1S/C21H23N5OS/c27-19(23-17-10-4-5-11-17)15-28-21-25-24-20(18-12-6-7-13-22-18)26(21)14-16-8-2-1-3-9-16/h1-3,6-9,12-13,17H,4-5,10-11,14-15H2,(H,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41441
PNG
(5-methyl-3-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azep...)
Show SMILES Cc1onc(c1C(=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1)-c1ccccc1
Show InChI InChI=1S/C23H24N4O4S/c1-16-21(22(26-31-16)17-8-4-2-5-9-17)23(28)25-18-11-13-19(14-12-18)32(29,30)27-20-10-6-3-7-15-24-20/h2,4-5,8-9,11-14H,3,6-7,10,15H2,1H3,(H,24,27)(H,25,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41455
PNG
(5-(2-azepan-1-yl-2-oxoethyl)-1-(4-methylphenyl)-1,...)
Show SMILES Cc1ccc(cc1)-n1ncc2c1ncn(CC(=O)N1CCCCCC1)c2=O
Show InChI InChI=1S/C20H23N5O2/c1-15-6-8-16(9-7-15)25-19-17(12-22-25)20(27)24(14-21-19)13-18(26)23-10-4-2-3-5-11-23/h6-9,12,14H,2-5,10-11,13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41460
PNG
(4-[2-[[2-(benzylamino)-2-keto-ethyl]thio]-4-keto-q...)
Show SMILES CCOC(=O)N1CCC(CC1)n1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O
Show InChI InChI=1S/C25H28N4O4S/c1-2-33-25(32)28-14-12-19(13-15-28)29-23(31)20-10-6-7-11-21(20)27-24(29)34-17-22(30)26-16-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3,(H,26,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41465
PNG
(4-({[5-(2-furyl)-4H-1,2,4-triazol-3-yl]thio}methyl...)
Show SMILES OC(=O)c1ccc(CSc2nnc([nH]2)-c2ccco2)cc1
Show InChI InChI=1S/C14H11N3O3S/c18-13(19)10-5-3-9(4-6-10)8-21-14-15-12(16-17-14)11-2-1-7-20-11/h1-7H,8H2,(H,18,19)(H,15,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41466
PNG
(1-(1-adamantyl)-3-[3-(2-ketopyrrolidino)propyl]ure...)
Show SMILES O=C(NCCCN1CCCC1=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C18H29N3O2/c22-16-3-1-5-21(16)6-2-4-19-17(23)20-18-10-13-7-14(11-18)9-15(8-13)12-18/h13-15H,1-12H2,(H2,19,20,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41467
PNG
(MLS000049900 | N-(2-furanylmethyl)-2-[[[2-[methyl(...)
Show SMILES CN(c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O
Show InChI InChI=1S/C21H21N3O5S/c1-24(30(2,27)28)19-12-6-4-10-17(19)21(26)23-18-11-5-3-9-16(18)20(25)22-14-15-8-7-13-29-15/h3-13H,14H2,1-2H3,(H,22,25)(H,23,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41479
PNG
(4-[3-(1-hydroxyethyl)anilino]-4-keto-butyric acid ...)
Show SMILES CC(O)c1cccc(NC(=O)CCC(O)=O)c1
Show InChI InChI=1S/C12H15NO4/c1-8(14)9-3-2-4-10(7-9)13-11(15)5-6-12(16)17/h2-4,7-8,14H,5-6H2,1H3,(H,13,15)(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41480
PNG
(1-[4-[4-(4-bromobenzoyl)piperazin-1-yl]-3-fluoroph...)
Show SMILES CC(=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Br)cc2)c(F)c1
Show InChI InChI=1S/C19H18BrFN2O2/c1-13(24)15-4-7-18(17(21)12-15)22-8-10-23(11-9-22)19(25)14-2-5-16(20)6-3-14/h2-7,12H,8-11H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41483
PNG
(MLS000525960 | N-[1-(4-Methoxy-phenyl)-ethyl]-benz...)
Show SMILES COc1ccc(cc1)C(C)NC(=O)c1ccccc1
Show InChI InChI=1S/C16H17NO2/c1-12(13-8-10-15(19-2)11-9-13)17-16(18)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41490
PNG
(2-(4-tert-butylphenoxy)-N-(2-methyl-5-[1,3]oxazolo...)
Show SMILES Cc1ccc(cc1NC(=O)COc1ccc(cc1)C(C)(C)C)-c1nc2cccnc2o1
Show InChI InChI=1S/C25H25N3O3/c1-16-7-8-17(23-28-20-6-5-13-26-24(20)31-23)14-21(16)27-22(29)15-30-19-11-9-18(10-12-19)25(2,3)4/h5-14H,15H2,1-4H3,(H,27,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41512
PNG
(4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quino...)
Show SMILES Cc1cccc2c(C(O)=O)c3CCCCCc3nc12
Show InChI InChI=1S/C16H17NO2/c1-10-6-5-8-12-14(16(18)19)11-7-3-2-4-9-13(11)17-15(10)12/h5-6,8H,2-4,7,9H2,1H3,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41513
PNG
(MLS000544814 | N-[1-(3,4-diethoxyphenyl)-3-phenyl-...)
Show SMILES CCOc1ccc(cc1OCC)C(CCc1ccccc1)NC(=O)c1ccccc1F
Show InChI InChI=1S/C26H28FNO3/c1-3-30-24-17-15-20(18-25(24)31-4-2)23(16-14-19-10-6-5-7-11-19)28-26(29)21-12-8-9-13-22(21)27/h5-13,15,17-18,23H,3-4,14,16H2,1-2H3,(H,28,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41515
PNG
((5E)-3-methyl-5-(3-pyridinylmethylidene)thiazolidi...)
Show SMILES CN1C(=O)S\C(=C\c2cccnc2)C1=O
Show InChI InChI=1S/C10H8N2O2S/c1-12-9(13)8(15-10(12)14)5-7-3-2-4-11-6-7/h2-6H,1H3/b8-5+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41518
PNG
(2-hydroxy-3,5-bisnitro-N'-(4-pyridinylmethylen...)
Show SMILES Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N\N=C\c1ccncc1
Show InChI InChI=1S/C13H9N5O6/c19-12-10(5-9(17(21)22)6-11(12)18(23)24)13(20)16-15-7-8-1-3-14-4-2-8/h1-7,19H,(H,16,20)/b15-7+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41423
PNG
(MLS000067975 | N-(1,3-benzodioxol-5-yl)-2-(1-benzy...)
Show SMILES O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C17H15N5O3S/c23-16(18-13-6-7-14-15(8-13)25-11-24-14)10-26-17-19-20-21-22(17)9-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,18,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41426
PNG
(3-Allyl-5-amino-2-imino-2,3-dihydro-thiazole-4-car...)
Show SMILES Nc1sc(=N)n(CC=C)c1C#N
Show InChI InChI=1S/C7H8N4S/c1-2-3-11-5(4-8)6(9)12-7(11)10/h2,10H,1,3,9H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41431
PNG
(1,3-Dimethyl-7-(4-methyl-benzyl)-8-(2-piperidin-1-...)
Show SMILES Cc1ccc(Cn2c(SCCN3CCCCC3)nc3n(C)c(=O)n(C)c(=O)c23)cc1
Show InChI InChI=1S/C22H29N5O2S/c1-16-7-9-17(10-8-16)15-27-18-19(24(2)22(29)25(3)20(18)28)23-21(27)30-14-13-26-11-5-4-6-12-26/h7-10H,4-6,11-15H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41439
PNG
(2-ethyl-N-[3-[(2-ethylpiperidin-1-yl)carbonylamino...)
Show SMILES CCC1CCCCN1C(=O)Nc1cccc(NC(=O)N2CCCCC2CC)c1
Show InChI InChI=1S/C22H34N4O2/c1-3-19-12-5-7-14-25(19)21(27)23-17-10-9-11-18(16-17)24-22(28)26-15-8-6-13-20(26)4-2/h9-11,16,19-20H,3-8,12-15H2,1-2H3,(H,23,27)(H,24,28)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41446
PNG
(2-[(4-acetamidophenyl)thio]acetic acid [2-(2-furfu...)
Show SMILES CC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C18H19N3O6S/c1-12(22)20-13-4-6-15(7-5-13)28-11-17(24)27-10-16(23)21-18(25)19-9-14-3-2-8-26-14/h2-8H,9-11H2,1H3,(H,20,22)(H2,19,21,23,25)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41448
PNG
(2,2-diketo-6-phenyl-3,4-dihydrothiazolo[2,3-c][1,2...)
Show SMILES CCOC(=O)C1=C(N2C=CS(=O)(=O)NC2S1)c1ccccc1
Show InChI InChI=1S/C14H14N2O4S2/c1-2-20-13(17)12-11(10-6-4-3-5-7-10)16-8-9-22(18,19)15-14(16)21-12/h3-9,14-15H,2H2,1H3
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41228
PNG
(2,3,5,6-tetrakis(2-furanyl)pyrazine | 2,3,5,6-tetr...)
Show SMILES c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1
Show InChI InChI=1S/C20H12N2O4/c1-5-13(23-9-1)17-18(14-6-2-10-24-14)22-20(16-8-4-12-26-16)19(21-17)15-7-3-11-25-15/h1-12H
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41486
PNG
(2-(3-methoxyphenyl)-2-(4-morpholinyl)acetonitrile ...)
Show SMILES COc1cccc(c1)C(C#N)N1CCOCC1
Show InChI InChI=1S/C13H16N2O2/c1-16-12-4-2-3-11(9-12)13(10-14)15-5-7-17-8-6-15/h2-4,9,13H,5-8H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41487
PNG
(3-(4-aminophenyl)sulfanyl-5-(trifluoromethyl)pyrid...)
Show SMILES Nc1ccc(Sc2cc(cnc2C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C13H8F3N3S/c14-13(15,16)8-5-12(11(6-17)19-7-8)20-10-3-1-9(18)2-4-10/h1-5,7H,18H2
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41491
PNG
(MLS000534907 | N-methyl-N-phenyl-4-(2-pyridinyl)-1...)
Show SMILES CN(C(=O)N1CCN(CC1)c1ccccn1)c1ccccc1
Show InChI InChI=1S/C17H20N4O/c1-19(15-7-3-2-4-8-15)17(22)21-13-11-20(12-14-21)16-9-5-6-10-18-16/h2-10H,11-14H2,1H3
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41500
PNG
(2,4-Dimethyl-6-oxo-6H-pyran-3-carboxylic acid 2-(4...)
Show SMILES Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClO5/c1-9-7-14(19)22-10(2)15(9)16(20)21-8-13(18)11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41502
PNG
((3Z)-6-chloranyl-3-[5-(2-methoxyphenyl)-1-methylsu...)
Show SMILES COc1ccccc1C1CC(=NN1S(C)(=O)=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
Show InChI InChI=1S/C26H22ClN3O4S/c1-34-23-11-7-6-10-18(23)22-15-21(29-30(22)35(2,32)33)25-24(16-8-4-3-5-9-16)19-14-17(27)12-13-20(19)28-26(25)31/h3-14,22H,15H2,1-2H3,(H,28,31)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41508
PNG
(2-(2-furoylamino)-3-phenyl-propionic acid [2-(cycl...)
Show SMILES O=C(COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1)NC1CC1
Show InChI InChI=1S/C19H20N2O5/c22-17(20-14-8-9-14)12-26-19(24)15(11-13-5-2-1-3-6-13)21-18(23)16-7-4-10-25-16/h1-7,10,14-15H,8-9,11-12H2,(H,20,22)(H,21,23)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41514
PNG
(2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl...)
Show SMILES CCCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O
Show InChI InChI=1S/C14H18N2O3S/c1-5-6-19-14(18)9(3)16-7-15-12-11(13(16)17)8(2)10(4)20-12/h7,9H,5-6H2,1-4H3
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41521
PNG
((6E)-6-[[(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4...)
Show SMILES Oc1ccccc1C=Nn1c(n[nH]c1=S)-c1cccs1
Show InChI InChI=1S/C13H10N4OS2/c18-10-5-2-1-4-9(10)8-14-17-12(15-16-13(17)19)11-6-3-7-20-11/h1-8,18H,(H,16,19)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41529
PNG
(1-(3,4-dimethylphenyl)-3-hydroxy-6,6-dimethyl-3-(t...)
Show SMILES Cc1ccc(cc1C)N1C2=C(C(=O)CC(C)(C)C2)C(O)(C1=O)C(F)(F)F
Show InChI InChI=1S/C19H20F3NO3/c1-10-5-6-12(7-11(10)2)23-13-8-17(3,4)9-14(24)15(13)18(26,16(23)25)19(20,21)22/h5-7,26H,8-9H2,1-4H3
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM41530
PNG
(2-[2-(cyclohexanecarbonyl)hydrazinyl]-N-cyclohexyl...)
Show SMILES O=C(NNC(=O)C(=O)NC1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C15H25N3O3/c19-13(11-7-3-1-4-8-11)17-18-15(21)14(20)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,16,20)(H,17,19)(H,18,21)
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n/an/a>7.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KP80J0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%