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Compile Data Set for Download or QSAR

Found 2046 hits with Last Name = 'kiselyov' and Initial = 'as'   
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50201397
PNG
(1-methyl-N-(3-methyl-4-(trifluoromethyl)phenyl)-4-...)
Show SMILES Cc1cc(NC(=O)c2c(NCc3ccncc3)ncn2C)ccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O/c1-12-9-14(3-4-15(12)19(20,21)22)26-18(28)16-17(25-11-27(16)2)24-10-13-5-7-23-8-6-13/h3-9,11,24H,10H2,1-2H3,(H,26,28)
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0.160n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by [32P]ATP-competitive radioassay


Bioorg Med Chem Lett 17: 1369-75 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.087
BindingDB Entry DOI: 10.7270/Q2125S92
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50201363
PNG
(1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluo...)
Show SMILES Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H16F3N5O2/c1-26-16(15(11-24-26)23-10-12-6-8-22-9-7-12)17(27)25-13-2-4-14(5-3-13)28-18(19,20)21/h2-9,11,23H,10H2,1H3,(H,25,27)
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0.170n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by [32P]ATP-competitive radioassay


Bioorg Med Chem Lett 17: 1369-75 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.087
BindingDB Entry DOI: 10.7270/Q2125S92
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50201394
PNG
(CHEMBL393779 | N-(4-tert-butylphenyl)-1-methyl-4-(...)
Show SMILES Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C21H25N5O/c1-21(2,3)16-5-7-17(8-6-16)25-20(27)18-19(24-14-26(18)4)23-13-15-9-11-22-12-10-15/h5-12,14,23H,13H2,1-4H3,(H,25,27)
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0.200n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by [32P]ATP-competitive radioassay


Bioorg Med Chem Lett 17: 1369-75 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.087
BindingDB Entry DOI: 10.7270/Q2125S92
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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0.380n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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5.70n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
G-protein coupled estrogen receptor 1


(Homo sapiens (Human))
BDBM50303803
PNG
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)
Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|
Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
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11n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211992
PNG
(CHEMBL236419 | N-(4-(chlorodifluoromethoxy)phenyl)...)
Show SMILES FC(F)(Cl)Oc1cccc(NC(=O)c2ccnn2CCc2ccncc2)c1
Show InChI InChI=1S/C18H15ClF2N4O2/c19-18(20,21)27-15-3-1-2-14(12-15)24-17(26)16-6-10-23-25(16)11-7-13-4-8-22-9-5-13/h1-6,8-10,12H,7,11H2,(H,24,26)
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70n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277407
PNG
(CHEMBL473288 | N-(4-bromophenyl)-4-(pyridin-4-ylme...)
Show SMILES Brc1ccc(NC(=O)c2nscc2NCc2ccncc2)cc1
Show InChI InChI=1S/C16H13BrN4OS/c17-12-1-3-13(4-2-12)20-16(22)15-14(10-23-21-15)19-9-11-5-7-18-8-6-11/h1-8,10,19H,9H2,(H,20,22)
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70n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC90 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211983
PNG
(1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)p...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-14(2-4-15)24-17(26)16-7-11-23-25(16)12-8-13-5-9-22-10-6-13/h1-7,9-11H,8,12H2,(H,24,26)
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80n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248494
PNG
(CHEMBL490968 | N-(Pyridin-4-ylmethyl)-2-(1-(3-(tri...)
Show SMILES FC(F)(F)c1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c22-21(23,24)16-4-3-5-17(12-16)29-14-20(27-28-29)18-6-1-2-7-19(18)26-13-15-8-10-25-11-9-15/h1-12,14,26H,13H2
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80n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC90 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211992
PNG
(CHEMBL236419 | N-(4-(chlorodifluoromethoxy)phenyl)...)
Show SMILES FC(F)(Cl)Oc1cccc(NC(=O)c2ccnn2CCc2ccncc2)c1
Show InChI InChI=1S/C18H15ClF2N4O2/c19-18(20,21)27-15-3-1-2-14(12-15)24-17(26)16-6-10-23-25(16)11-7-13-4-8-22-9-5-13/h1-6,8-10,12H,7,11H2,(H,24,26)
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90n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211983
PNG
(1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)p...)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C18H15F3N4O2/c19-18(20,21)27-15-3-1-14(2-4-15)24-17(26)16-7-11-23-25(16)12-8-13-5-9-22-10-6-13/h1-7,9-11H,8,12H2,(H,24,26)
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90n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211976
PNG
(CHEMBL397323 | N-(4-chlorophenyl)-1-(2-(pyridin-4-...)
Show SMILES Clc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C17H15ClN4O/c18-14-1-3-15(4-2-14)21-17(23)16-7-11-20-22(16)12-8-13-5-9-19-10-6-13/h1-7,9-11H,8,12H2,(H,21,23)
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90n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277407
PNG
(CHEMBL473288 | N-(4-bromophenyl)-4-(pyridin-4-ylme...)
Show SMILES Brc1ccc(NC(=O)c2nscc2NCc2ccncc2)cc1
Show InChI InChI=1S/C16H13BrN4OS/c17-12-1-3-13(4-2-12)20-16(22)15-14(10-23-21-15)19-9-11-5-7-18-8-6-11/h1-8,10,19H,9H2,(H,20,22)
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90n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC50 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248494
PNG
(CHEMBL490968 | N-(Pyridin-4-ylmethyl)-2-(1-(3-(tri...)
Show SMILES FC(F)(F)c1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C21H16F3N5/c22-21(23,24)16-4-3-5-17(12-16)29-14-20(27-28-29)18-6-1-2-7-19(18)26-13-15-8-10-25-11-9-15/h1-12,14,26H,13H2
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90n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC50 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248491
PNG
(2-(1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(py...)
Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C20H16ClN5/c21-16-4-3-5-17(12-16)26-14-20(24-25-26)18-6-1-2-7-19(18)23-13-15-8-10-22-11-9-15/h1-12,14,23H,13H2
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110n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC90 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211976
PNG
(CHEMBL397323 | N-(4-chlorophenyl)-1-(2-(pyridin-4-...)
Show SMILES Clc1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C17H15ClN4O/c18-14-1-3-15(4-2-14)21-17(23)16-7-11-20-22(16)12-8-13-5-9-19-10-6-13/h1-7,9-11H,8,12H2,(H,21,23)
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110n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277363
PNG
(CHEMBL475510 | N-(3-tert-butylphenyl)-4-(pyridin-4...)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H22N4OS/c1-20(2,3)15-5-4-6-16(11-15)23-19(25)18-17(13-26-24-18)22-12-14-7-9-21-10-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,25)
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120n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC90 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248491
PNG
(2-(1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(py...)
Show SMILES Clc1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C20H16ClN5/c21-16-4-3-5-17(12-16)26-14-20(24-25-26)18-6-1-2-7-19(18)23-13-15-8-10-22-11-9-15/h1-12,14,23H,13H2
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120n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC50 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277363
PNG
(CHEMBL475510 | N-(3-tert-butylphenyl)-4-(pyridin-4...)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C20H22N4OS/c1-20(2,3)15-5-4-6-16(11-15)23-19(25)18-17(13-26-24-18)22-12-14-7-9-21-10-8-14/h4-11,13,22H,12H2,1-3H3,(H,23,25)
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130n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC50 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211979
PNG
(CHEMBL399605 | N-(4-tert-butylphenyl)-1-(2-(pyridi...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)17-4-6-18(7-5-17)24-20(26)19-10-14-23-25(19)15-11-16-8-12-22-13-9-16/h4-10,12-14H,11,15H2,1-3H3,(H,24,26)
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130n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277281
PNG
(4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C17H13F3N4OS/c18-17(19,20)12-2-1-3-13(8-12)23-16(25)15-14(10-26-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
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130n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC90 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248584
PNG
(2-(1-(3-isopropylphenyl)-1H-1,2,3-triazol-4-yl)-N-...)
Show SMILES CC(C)c1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C23H23N5/c1-17(2)19-6-5-7-20(14-19)28-16-23(26-27-28)21-8-3-4-9-22(21)25-15-18-10-12-24-13-11-18/h3-14,16-17,25H,15H2,1-2H3
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140n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC90 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211979
PNG
(CHEMBL399605 | N-(4-tert-butylphenyl)-1-(2-(pyridi...)
Show SMILES CC(C)(C)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1
Show InChI InChI=1S/C21H24N4O/c1-21(2,3)17-4-6-18(7-5-17)24-20(26)19-10-14-23-25(19)15-11-16-8-12-22-13-9-16/h4-10,12-14H,11,15H2,1-3H3,(H,24,26)
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140n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211972
PNG
(CHEMBL233823 | N-(3-chloro-4-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1Cl
Show InChI InChI=1S/C18H14ClF3N4O/c19-15-11-13(1-2-14(15)18(20,21)22)25-17(27)16-5-9-24-26(16)10-6-12-3-7-23-8-4-12/h1-5,7-9,11H,6,10H2,(H,25,27)
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160n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Displacement of [32P]ATP from human VEGFR2 after 45 mins


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50248584
PNG
(2-(1-(3-isopropylphenyl)-1H-1,2,3-triazol-4-yl)-N-...)
Show SMILES CC(C)c1cccc(c1)-n1cc(nn1)-c1ccccc1NCc1ccncc1
Show InChI InChI=1S/C23H23N5/c1-17(2)19-6-5-7-20(14-19)28-16-23(26-27-28)21-8-3-4-9-22(21)25-15-18-10-12-24-13-11-18/h3-14,16-17,25H,15H2,1-2H3
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160n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Binding affinity to VEGFR2 (unknown origin) at IC50 in presence of ATP


Bioorg Med Chem Lett 19: 1344-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.046
BindingDB Entry DOI: 10.7270/Q2DV1JRT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50277281
PNG
(4-(pyridin-4-ylmethylamino)-N-(3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1
Show InChI InChI=1S/C17H13F3N4OS/c18-17(19,20)12-2-1-3-13(8-12)23-16(25)15-14(10-26-24-15)22-9-11-4-6-21-7-5-11/h1-8,10,22H,9H2,(H,23,25)
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160n/an/an/an/an/an/an/an/a



deCODE

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) at IC50 concentration by ATP based competition assay


Bioorg Med Chem Lett 19: 1195-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.078
BindingDB Entry DOI: 10.7270/Q2W66KNK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50211972
PNG
(CHEMBL233823 | N-(3-chloro-4-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccc(NC(=O)c2ccnn2CCc2ccncc2)cc1Cl
Show InChI InChI=1S/C18H14ClF3N4O/c19-15-11-13(1-2-14(15)18(20,21)22)25-17(27)16-5-9-24-26(16)10-6-12-3-7-23-8-4-12/h1-5,7-9,11H,6,10H2,(H,25,27)
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170n/an/an/an/an/an/an/an/a



Chemical Diversity, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 assessed as inhibition of phosphorylation in presence of 2 uM ATP by HTRF assay


Bioorg Med Chem Lett 17: 3550-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.042
BindingDB Entry DOI: 10.7270/Q2MG7P6N
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50303803
PNG
(1-((3aS,4R,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)
Show SMILES CC(=O)c1ccc2N[C@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|
Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50324674
PNG
(1-((3aS,4S,9bR)-4-(6-bromobenzo[d][1,3]dioxol-5-yl...)
Show SMILES CC(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@H]3c2c1)c1cc2OCOc2cc1Br |r,c:11|
Show InChI InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21+/m1/s1
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University of New Mexico Health Sciences Center

Curated by ChEMBL


Assay Description
Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS


Nat Chem Biol 2: 207-12 (2006)


Article DOI: 10.1038/nchembio775
BindingDB Entry DOI: 10.7270/Q2ZK5GV2
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315482
PNG
(CHEMBL1093897 | N-(3-chlorophenylsulfonyl)-3-(3,3-...)
Show SMILES FC1(F)C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C28H19ClF2N2O4S/c29-22-8-4-9-23(16-22)38(36,37)32-25(34)14-13-20-7-3-10-24-26(20)33(27(35)28(24,30)31)17-18-11-12-19-5-1-2-6-21(19)15-18/h1-16H,17H2,(H,32,34)/b14-13+
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n/an/a 0.100n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315493
PNG
(3-(1-(2,4-dichlorobenzyl)-2-oxoindolin-7-yl)-N-(2,...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C24H15Cl2F3N2O4S/c25-16-6-4-15(17(26)9-16)12-31-23(33)8-14-3-1-2-13(24(14)31)5-7-22(32)30-36(34,35)21-11-19(28)18(27)10-20(21)29/h1-7,9-11H,8,12H2,(H,30,32)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315480
PNG
(3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoind...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F
Show InChI InChI=1S/C28H18F4N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315471
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F
Show InChI InChI=1S/C24H13Cl2F5N2O4S/c25-14-6-4-13(16(26)8-14)11-33-22-12(2-1-3-15(22)24(30,31)23(33)35)5-7-21(34)32-38(36,37)20-10-18(28)17(27)9-19(20)29/h1-10H,11H2,(H,32,34)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315474
PNG
(CHEMBL1089095 | N-(3-chlorophenylsulfonyl)-3-(1-(2...)
Show SMILES FC1(F)C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C24H15Cl3F2N2O4S/c25-16-4-2-5-18(11-16)36(34,35)30-21(32)10-8-14-3-1-6-19-22(14)31(23(33)24(19,28)29)13-15-7-9-17(26)12-20(15)27/h1-12H,13H2,(H,30,32)/b10-8+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315473
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES FC1(F)C(=O)N(Cc2ccc(Cl)cc2Cl)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H14Cl4F2N2O4S/c25-15-6-4-14(19(27)10-15)12-32-22-13(2-1-3-17(22)24(29,30)23(32)34)5-9-21(33)31-37(35,36)16-7-8-18(26)20(28)11-16/h1-11H,12H2,(H,31,33)/b9-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315472
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F
Show InChI InChI=1S/C24H14Cl2F4N2O4S/c25-15-6-4-14(18(26)10-15)12-32-22-13(2-1-3-17(22)24(29,30)23(32)34)5-9-21(33)31-37(35,36)16-7-8-19(27)20(28)11-16/h1-11H,12H2,(H,31,33)/b9-5+
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n/an/a 0.200n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254766
PNG
(2-(3-(2,4-dichlorophenylthio)-1H-indol-4-yloxy)-N-...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Sc3ccc(Cl)cc3Cl)c12
Show InChI InChI=1S/C20H12Cl4N2O4S3/c21-10-4-5-15(11(22)6-10)31-16-8-25-13-2-1-3-14(19(13)16)30-9-17(27)26-33(28,29)18-7-12(23)20(24)32-18/h1-8,25H,9H2,(H,26,27)
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n/an/a 0.200n/an/an/an/an/an/a



deCODE Chemistry, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315476
PNG
(3-(1-(2,4-dichlorobenzyl)-3,3-difluoro-2-oxoindoli...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc(Cl)cc1Cl)C(=O)C2(F)F
Show InChI InChI=1S/C24H15Cl2F3N2O4S/c25-16-6-4-15(20(26)12-16)13-31-22-14(2-1-3-19(22)24(28,29)23(31)33)5-11-21(32)30-36(34,35)18-9-7-17(27)8-10-18/h1-12H,13H2,(H,30,32)/b11-5+
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n/an/a 0.200n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254687
PNG
(CHEMBL464032 | N-(4,5-dichlorothiophen-2-ylsulfony...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Sc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C24H16Cl2N2O4S3/c25-17-11-22(34-24(17)26)35(30,31)28-21(29)13-32-19-7-3-6-18-23(19)20(12-27-18)33-16-9-8-14-4-1-2-5-15(14)10-16/h1-12,27H,13H2,(H,28,29)
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n/an/a 0.300n/an/an/an/an/an/a



deCODE Chemistry, Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50254841
PNG
(2-(3-(3,4-dichlorophenylthio)-1H-indol-4-yloxy)-N-...)
Show SMILES Clc1cc(sc1Cl)S(=O)(=O)NC(=O)COc1cccc2[nH]cc(Sc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C20H12Cl4N2O4S3/c21-11-5-4-10(6-12(11)22)31-16-8-25-14-2-1-3-15(19(14)16)30-9-17(27)26-33(28,29)18-7-13(23)20(24)32-18/h1-8,25H,9H2,(H,26,27)
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n/an/a 0.300n/an/an/an/an/an/a



deCODE Chemistry, Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human EP3 receptor assessed as cAMP production by cell-based assay


Bioorg Med Chem Lett 19: 123-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.007
BindingDB Entry DOI: 10.7270/Q2JH3M1S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315503
PNG
(CHEMBL1092871 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4ccc(Cl)c(Cl)c4)c23)cc1F
Show InChI InChI=1S/C24H16Cl2F2N2O4S/c25-18-7-6-17(12-19(18)26)35(33,34)29-22(31)9-5-15-2-1-3-16-11-23(32)30(24(15)16)13-14-4-8-20(27)21(28)10-14/h1-10,12H,11,13H2,(H,29,31)/b9-5+
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n/an/a 0.300n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315498
PNG
(3-(1-(naphthalen-2-ylmethyl)-2-oxoindolin-7-yl)-N-...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H19F3N2O4S/c29-22-14-24(31)25(15-23(22)30)38(36,37)32-26(34)11-10-19-6-3-7-21-13-27(35)33(28(19)21)16-17-8-9-18-4-1-2-5-20(18)12-17/h1-12,14-15H,13,16H2,(H,32,34)/b11-10+
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n/an/a 0.300n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315481
PNG
(CHEMBL1090222 | N-(3,4-dichlorophenylsulfonyl)-3-(...)
Show SMILES FC1(F)C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H18Cl2F2N2O4S/c29-23-12-11-21(15-24(23)30)39(37,38)33-25(35)13-10-19-6-3-7-22-26(19)34(27(36)28(22,31)32)16-17-8-9-18-4-1-2-5-20(18)14-17/h1-15H,16H2,(H,33,35)/b13-10+
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n/an/a 0.300n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315479
PNG
(3-(3,3-difluoro-1-(naphthalen-2-ylmethyl)-2-oxoind...)
Show SMILES Fc1cc(F)c(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C2(F)F
Show InChI InChI=1S/C28H17F5N2O4S/c29-21-13-23(31)24(14-22(21)30)40(38,39)34-25(36)11-10-18-6-3-7-20-26(18)35(27(37)28(20,32)33)15-16-8-9-17-4-1-2-5-19(17)12-16/h1-14H,15H2,(H,34,36)/b11-10+
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n/an/a 0.300n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315528
PNG
(3-(3-methyl-1-(naphthalen-2-ylmethyl)-2-oxoindolin...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C29H21F3N2O4S/c1-17-22-8-4-7-20(11-12-27(35)33-39(37,38)26-15-24(31)23(30)14-25(26)32)28(22)34(29(17)36)16-18-9-10-19-5-2-3-6-21(19)13-18/h2-15,17H,16H2,1H3,(H,33,35)/b12-11+
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n/an/a 0.300n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315499
PNG
(CHEMBL1088822 | N-(3,4-difluorophenylsulfonyl)-3-(...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(=O)\C=C\c1cccc2CC(=O)N(Cc3ccc4ccccc4c3)c12
Show InChI InChI=1S/C28H20F2N2O4S/c29-24-12-11-23(16-25(24)30)37(35,36)31-26(33)13-10-20-6-3-7-22-15-27(34)32(28(20)22)17-18-8-9-19-4-1-2-5-21(19)14-18/h1-14,16H,15,17H2,(H,31,33)/b13-10+
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n/an/a 0.400n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315529
PNG
(CHEMBL1089454 | N-(3-chlorophenylsulfonyl)-3-(3-me...)
Show SMILES CC1C(=O)N(Cc2ccc3ccccc3c2)c2c1cccc2\C=C\C(=O)NS(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C29H23ClN2O4S/c1-19-26-11-4-8-22(14-15-27(33)31-37(35,36)25-10-5-9-24(30)17-25)28(26)32(29(19)34)18-20-12-13-21-6-2-3-7-23(21)16-20/h2-17,19H,18H2,1H3,(H,31,33)/b15-14+
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n/an/a 0.400n/an/an/an/an/an/a



deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50315506
PNG
(CHEMBL1091146 | N-(4,5-dichlorothiophen-2-ylsulfon...)
Show SMILES Fc1ccc(CN2C(=O)Cc3cccc(\C=C\C(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)c23)cc1F
Show InChI InChI=1S/C22H14Cl2F2N2O4S2/c23-15-10-20(33-22(15)24)34(31,32)27-18(29)7-5-13-2-1-3-14-9-19(30)28(21(13)14)11-12-4-6-16(25)17(26)8-12/h1-8,10H,9,11H2,(H,27,29)/b7-5+
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deCODE Chemistry

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor in buffer


Bioorg Med Chem Lett 20: 2658-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.028
BindingDB Entry DOI: 10.7270/Q2668DCG
More data for this
Ligand-Target Pair
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