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Compile Data Set for Download or QSAR

Found 854 hits with Last Name = 'nilakantan' and Initial = 'r'   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138479
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:10:11:17.16.19:14.13|
Show InChI InChI=1S/C24H26F3NO4/c1-30-20-6-3-7-21-22(20)32-19(14-31-21)13-28-17-8-9-18(28)12-23(29,11-17)15-4-2-5-16(10-15)24(25,26)27/h2-7,10,17-19,29H,8-9,11-14H2,1H3/t17-,18+,19-,23+/m0/s1
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0.330n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138478
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14|
Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1
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0.810n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50138483
PNG
(8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17|
Show InChI InChI=1S/C27H27NO3/c1-29-25-7-4-8-26-27(25)31-24(17-30-26)16-28-22-11-12-23(28)15-21(14-22)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13-14,22-24H,11-12,15-17H2,1H3/t22?,23?,24-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138480
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:10:11:17.19.16:13.14|
Show InChI InChI=1S/C23H27NO4/c1-26-20-8-5-9-21-22(20)28-19(15-27-21)14-24-17-10-11-18(24)13-23(25,12-17)16-6-3-2-4-7-16/h2-9,17-19,25H,10-15H2,1H3/t17-,18+,19-,23+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138474
PNG
((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14|
Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138485
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:11:12:18.17.20:15.14|
Show InChI InChI=1S/C25H28F3NO4/c1-2-31-21-7-4-8-22-23(21)33-20(15-32-22)14-29-18-9-10-19(29)13-24(30,12-18)16-5-3-6-17(11-16)25(26,27)28/h3-8,11,18-20,30H,2,9-10,12-15H2,1H3/t18-,19+,20-,24+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138470
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:11:12:18.20.17:14.15|
Show InChI InChI=1S/C24H29NO4/c1-2-27-21-9-6-10-22-23(21)29-20(16-28-22)15-25-18-11-12-19(25)14-24(26,13-18)17-7-4-3-5-8-17/h3-10,18-20,26H,2,11-16H2,1H3/t18-,19+,20-,24+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50138471
PNG
(3-(3,4-Dichloro-phenyl)-8-((S)-8-methoxy-2,3-dihyd...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc(Cl)c(Cl)c3)Oc12 |c:17|
Show InChI InChI=1S/C23H23Cl2NO3/c1-27-21-3-2-4-22-23(21)29-18(13-28-22)12-26-16-6-7-17(26)10-15(9-16)14-5-8-19(24)20(25)11-14/h2-5,8-9,11,16-18H,6-7,10,12-13H2,1H3/t16?,17?,18-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138473
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:11:12:18.20.17:14.15|
Show InChI InChI=1S/C28H31NO4/c1-2-31-25-8-5-9-26-27(25)33-24(18-32-26)17-29-22-12-13-23(29)16-28(30,15-22)21-11-10-19-6-3-4-7-20(19)14-21/h3-11,14,22-24,30H,2,12-13,15-18H2,1H3/t22-,23+,24-,28+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50138476
PNG
(5-Fluoro-1-[8-((S)-8-methoxy-2,3-dihydro-benzo[1,4...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17|
Show InChI InChI=1S/C25H25FN2O3/c1-29-23-3-2-4-24-25(23)31-21(15-30-24)14-28-18-6-7-19(28)13-20(12-18)27-10-9-16-11-17(26)5-8-22(16)27/h2-5,8-12,18-19,21H,6-7,13-15H2,1H3/t18?,19?,21-/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138479
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:10:11:17.16.19:14.13|
Show InChI InChI=1S/C24H26F3NO4/c1-30-20-6-3-7-21-22(20)32-19(14-31-21)13-28-17-8-9-18(28)12-23(29,11-17)15-4-2-5-16(10-15)24(25,26)27/h2-7,10,17-19,29H,8-9,11-14H2,1H3/t17-,18+,19-,23+/m0/s1
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9.90n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138485
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3cccc(c3)C(F)(F)F)Oc12 |THB:11:12:18.17.20:15.14|
Show InChI InChI=1S/C25H28F3NO4/c1-2-31-21-7-4-8-22-23(21)33-20(15-32-22)14-29-18-9-10-19(29)13-24(30,12-18)16-5-3-6-17(11-16)25(26,27)28/h3-8,11,18-20,30H,2,9-10,12-15H2,1H3/t18-,19+,20-,24+/m0/s1
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13n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138472
PNG
((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-ethoxy...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:11:12:18.17.20:14.15|
Show InChI InChI=1S/C26H29NO4S/c1-2-29-22-7-5-8-23-25(22)31-19(15-30-23)14-27-17-10-11-18(27)13-26(28,12-17)21-16-32-24-9-4-3-6-20(21)24/h3-9,16-19,28H,2,10-15H2,1H3/t17-,18+,19-,26+/m0/s1
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17n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50138475
PNG
(8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12 |c:17|
Show InChI InChI=1S/C27H27NO3/c1-29-25-10-5-11-26-27(25)31-22(17-30-26)16-28-20-12-13-21(28)15-19(14-20)24-9-4-7-18-6-2-3-8-23(18)24/h2-11,14,20-22H,12-13,15-17H2,1H3/t20?,21?,22-/m0/s1
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26n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50138477
PNG
(8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1
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33n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138470
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3)Oc12 |THB:11:12:18.20.17:14.15|
Show InChI InChI=1S/C24H29NO4/c1-2-27-21-9-6-10-22-23(21)29-20(16-28-22)15-25-18-11-12-19(25)14-24(26,13-18)17-7-4-3-5-8-17/h3-10,18-20,26H,2,11-16H2,1H3/t18-,19+,20-,24+/m0/s1
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33n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138484
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccc3OC)Oc12 |THB:10:11:17.19.16:14.13|
Show InChI InChI=1S/C24H29NO5/c1-27-20-7-4-3-6-19(20)24(26)12-16-10-11-17(13-24)25(16)14-18-15-29-22-9-5-8-21(28-2)23(22)30-18/h3-9,16-18,26H,10-15H2,1-2H3/t16-,17+,18-,24+/m0/s1
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39n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138478
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:10:11:17.19.16:13.14|
Show InChI InChI=1S/C27H29NO4/c1-30-24-7-4-8-25-26(24)32-23(17-31-25)16-28-21-11-12-22(28)15-27(29,14-21)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13,21-23,29H,11-12,14-17H2,1H3/t21-,22+,23-,27+/m0/s1
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42n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138481
PNG
((1R,3R,5S)-8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:10:11:17.19.16:14.13|
Show InChI InChI=1S/C22H26N2O4/c1-26-18-5-4-6-19-21(18)28-17(14-27-19)13-24-15-8-9-16(24)12-22(25,11-15)20-7-2-3-10-23-20/h2-7,10,15-17,25H,8-9,11-14H2,1H3/t15-,16+,17-,22+/m0/s1
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46n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138477
PNG
(8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1
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46n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138482
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:11:12:18.20.17:15.14|
Show InChI InChI=1S/C23H28N2O4/c1-2-27-19-6-5-7-20-22(19)29-18(15-28-20)14-25-16-9-10-17(25)13-23(26,12-16)21-8-3-4-11-24-21/h3-8,11,16-18,26H,2,9-10,12-15H2,1H3/t16-,17+,18-,23+/m0/s1
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62n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138476
PNG
(5-Fluoro-1-[8-((S)-8-methoxy-2,3-dihydro-benzo[1,4...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17|
Show InChI InChI=1S/C25H25FN2O3/c1-29-23-3-2-4-24-25(23)31-21(15-30-24)14-28-18-6-7-19(28)13-20(12-18)27-10-9-16-11-17(26)5-8-22(16)27/h2-5,8-12,18-19,21H,6-7,13-15H2,1H3/t18?,19?,21-/m0/s1
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71n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]-GTP-gammaS, stimulated cAMP assay


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138473
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccc4ccccc4c3)Oc12 |THB:11:12:18.20.17:14.15|
Show InChI InChI=1S/C28H31NO4/c1-2-31-25-8-5-9-26-27(25)33-24(18-32-26)17-29-22-12-13-23(29)16-28(30,15-22)21-11-10-19-6-3-4-7-20(19)14-21/h3-11,14,22-24,30H,2,12-13,15-18H2,1H3/t22-,23+,24-,28+/m0/s1
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104n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138474
PNG
((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-methox...)
Show SMILES COc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:10:11:17.16.19:13.14|
Show InChI InChI=1S/C25H27NO4S/c1-28-21-6-4-7-22-24(21)30-18(14-29-22)13-26-16-9-10-17(26)12-25(27,11-16)20-15-31-23-8-3-2-5-19(20)23/h2-8,15-18,27H,9-14H2,1H3/t16-,17+,18-,25+/m0/s1
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106n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]-GTP-gammaS, stimulated cAMP assay


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138472
PNG
((1R,3R,5S)-3-Benzo[b]thiophen-3-yl-8-((S)-8-ethoxy...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3csc4ccccc34)Oc12 |THB:11:12:18.17.20:14.15|
Show InChI InChI=1S/C26H29NO4S/c1-2-29-22-7-5-8-23-25(22)31-19(15-30-23)14-27-17-10-11-18(27)13-26(28,12-17)21-16-32-24-9-4-3-6-20(21)24/h3-9,16-19,28H,2,10-15H2,1H3/t17-,18+,19-,26+/m0/s1
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124n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonsitic activity of compound towards 5-hydroxytryptamine 1A receptor was evaluated by [35S]-GTP-gammaS, stimulated cAMP assay


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138476
PNG
(5-Fluoro-1-[8-((S)-8-methoxy-2,3-dihydro-benzo[1,4...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)n3ccc4cc(F)ccc34)Oc12 |c:17|
Show InChI InChI=1S/C25H25FN2O3/c1-29-23-3-2-4-24-25(23)31-21(15-30-24)14-28-18-6-7-19(28)13-20(12-18)27-10-9-16-11-17(26)5-8-22(16)27/h2-5,8-12,18-19,21H,6-7,13-15H2,1H3/t18?,19?,21-/m0/s1
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128n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138482
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:11:12:18.20.17:15.14|
Show InChI InChI=1S/C23H28N2O4/c1-2-27-19-6-5-7-20-22(19)29-18(15-28-20)14-25-16-9-10-17(25)13-23(26,12-16)21-8-3-4-11-24-21/h3-8,11,16-18,26H,2,9-10,12-15H2,1H3/t16-,17+,18-,23+/m0/s1
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147n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138483
PNG
(8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc4ccccc4c3)Oc12 |c:17|
Show InChI InChI=1S/C27H27NO3/c1-29-25-7-4-8-26-27(25)31-24(17-30-26)16-28-22-11-12-23(28)15-21(14-22)20-10-9-18-5-2-3-6-19(18)13-20/h2-10,13-14,22-24H,11-12,15-17H2,1H3/t22?,23?,24-/m0/s1
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229n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138477
PNG
(8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12 |c:17|
Show InChI InChI=1S/C26H26N2O3/c1-29-23-8-3-9-24-26(23)31-21(16-30-24)15-28-19-10-11-20(28)14-18(13-19)22-7-2-5-17-6-4-12-27-25(17)22/h2-9,12-13,19-21H,10-11,14-16H2,1H3/t19?,20?,21-/m0/s1
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307n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50138475
PNG
(8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4ccccc34)Oc12 |c:17|
Show InChI InChI=1S/C27H27NO3/c1-29-25-10-5-11-26-27(25)31-22(17-30-26)16-28-20-12-13-21(28)15-19(14-20)24-9-4-7-18-6-2-3-8-23(18)24/h2-11,14,20-22H,12-13,15-17H2,1H3/t20?,21?,22-/m0/s1
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357n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138471
PNG
(3-(3,4-Dichloro-phenyl)-8-((S)-8-methoxy-2,3-dihyd...)
Show SMILES COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3ccc(Cl)c(Cl)c3)Oc12 |c:17|
Show InChI InChI=1S/C23H23Cl2NO3/c1-27-21-3-2-4-22-23(21)29-18(13-28-22)12-26-16-6-7-17(26)10-15(9-16)14-5-8-19(24)20(25)11-14/h2-5,8-9,11,16-18H,6-7,10,12-13H2,1H3/t16?,17?,18-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50002445
PNG
(CHEMBL2113171)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC(CF)CF)=C(Cl)C3=O)c2cc1OC |t:13,23|
Show InChI InChI=1S/C21H20ClF2N3O6/c1-30-3-4-32-17-7-13-12(5-16(17)31-2)21(26-10-25-13)27-14-6-15(28)20(18(22)19(14)29)33-11(8-23)9-24/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,25,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50002593
PNG
(CHEMBL2113187)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4cccc(F)c4)=CC3=O)c2cc1OC |c:26,t:13|
Show InChI InChI=1S/C24H20FN3O6/c1-31-6-7-33-23-11-17-16(9-22(23)32-2)24(27-13-26-17)28-18-10-20(30)21(12-19(18)29)34-15-5-3-4-14(25)8-15/h3-5,8-13H,6-7H2,1-2H3,(H,26,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50002446
PNG
(CHEMBL2113172)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC)=C(Cl)C3=O)c2cc1OC |t:13,19|
Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)18(28-3)16(20)17(12)25/h6-9H,4-5H2,1-3H3,(H,21,22,23)
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n/an/a<1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50177852
PNG
(3-Chloro-2-ethoxy-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES CCOC1=C(Cl)C(=O)C(Nc2ncnc3cc(OCCOC)c(OC)cc23)=CC1=O |c:3,28|
Show InChI InChI=1S/C20H20ClN3O6/c1-4-29-19-14(25)8-13(18(26)17(19)21)24-20-11-7-15(28-3)16(30-6-5-27-2)9-12(11)22-10-23-20/h7-10H,4-6H2,1-3H3,(H,22,23,24)
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n/an/a<1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50177827
PNG
(3-Chloro-2-[(3-fluorobenzyl)oxy]-5-{[6-methoxy-7-(...)
Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(OCc4cccc(F)c4)=C(Cl)C3=O)c2cc1OC |w:12.11,t:27|
Show InChI InChI=1S/C25H21ClFN3O6/c1-33-6-7-35-21-11-17-16(9-20(21)34-2)25(29-13-28-17)30-18-10-19(31)24(22(26)23(18)32)36-12-14-4-3-5-15(27)8-14/h3-5,8-9,11,13H,6-7,10,12H2,1-2H3
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n/an/a<1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50002446
PNG
(CHEMBL2113172)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(OC)=C(Cl)C3=O)c2cc1OC |t:13,19|
Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)18(28-3)16(20)17(12)25/h6-9H,4-5H2,1-3H3,(H,21,22,23)
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n/an/a 1n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50177845
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22|
Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50177829
PNG
(2-Chloro-3-methoxy-5-{[6-methoxy-7-(2-methoxyethox...)
Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(Cl)=C(OC)C3=O)c2cc1OC |w:12.11,t:18|
Show InChI InChI=1S/C19H18ClN3O6/c1-26-4-5-29-15-8-11-10(6-14(15)27-2)19(22-9-21-11)23-12-7-13(24)16(20)18(28-3)17(12)25/h6,8-9H,4-5,7H2,1-3H3
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n/an/a 1.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50177836
PNG
(2-{[6-Methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]a...)
Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(OCCOc4ccccc4)=CC3=O)c2cc1OC |w:12.11,c:28|
Show InChI InChI=1S/C26H25N3O7/c1-32-8-9-36-25-14-19-18(12-24(25)33-2)26(28-16-27-19)29-20-13-22(31)23(15-21(20)30)35-11-10-34-17-6-4-3-5-7-17/h3-7,12,14-16H,8-11,13H2,1-2H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50177845
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22|
Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 1 mm ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50177845
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22|
Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 100 uM glutathione


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50177845
PNG
(2-{[6-Methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazol...)
Show SMILES COc1cc2c(N=C3CC(=O)C(OCC#Cc4ccccc4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |w:6.5,c:22|
Show InChI InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17,19-21H,5-6,8,12-16,18H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50141149
PNG
((E)-4-Dimethylamino-but-2-enoic acid [4-(3-bromo-p...)
Show SMILES CN(C)C\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)c(cnc2cn1)C#N
Show InChI InChI=1S/C21H19BrN6O/c1-28(2)8-4-7-20(29)27-19-10-17-18(13-25-19)24-12-14(11-23)21(17)26-16-6-3-5-15(22)9-16/h3-7,9-10,12-13H,8H2,1-2H3,(H,24,26)(H,25,27,29)/b7-4+
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Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 1411-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.034
BindingDB Entry DOI: 10.7270/Q2G161DC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50177848
PNG
(2-Chloro-3-isopropoxy-5-{[6-methoxy-7-(2-methoxyet...)
Show SMILES COCCOc1cc2ncnc(N=C3CC(=O)C(Cl)=C(OC(C)C)C3=O)c2cc1OC |w:12.11,t:18|
Show InChI InChI=1S/C21H22ClN3O6/c1-11(2)31-20-18(22)15(26)8-14(19(20)27)25-21-12-7-16(29-4)17(30-6-5-28-3)9-13(12)23-10-24-21/h7,9-11H,5-6,8H2,1-4H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a 2n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptor


J Med Chem 46: 49-63 (2002)


Article DOI: 10.1021/jm020241c
BindingDB Entry DOI: 10.7270/Q2PV6M3H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4582
PNG
(4-anilinoquinazoline deriv. 10o | N-{4-[(3-bromoph...)
Show SMILES OCC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C18H13BrN4O2/c19-12-3-1-4-13(9-12)23-18-15-10-14(22-17(25)5-2-8-24)6-7-16(15)20-11-21-18/h1,3-4,6-7,9-11,24H,8H2,(H,22,25)(H,20,21,23)
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n/an/a 2n/an/an/an/a7.422



Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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Wyeth-Ayerst Research



Assay Description
The EGF-R kinase autophosphorylation activity was measured by DELFIA/time-resolved fluorometry with excitation at 340 nm and emission at 615 nm. Po...


J Med Chem 44: 2719-34 (2001)


Article DOI: 10.1016/j.bmcl.2006.08.072
BindingDB Entry DOI: 10.7270/Q2PN93TS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50002578
PNG
(CHEMBL2113199)
Show SMILES COc1cc2c(NC3=CC(=O)C(OCc4ccccn4)=CC3=O)ncnc2cc1OCCCN1CCCC1 |c:20,t:7|
Show InChI InChI=1S/C28H29N5O5/c1-36-26-13-20-21(15-27(26)37-12-6-11-33-9-4-5-10-33)30-18-31-28(20)32-22-14-24(35)25(16-23(22)34)38-17-19-7-2-3-8-29-19/h2-3,7-8,13-16,18H,4-6,9-12,17H2,1H3,(H,30,31,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP and in presence of 5% mouse plasma


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50002585
PNG
(CHEMBL2113191)
Show SMILES COCCOc1cc2ncnc(NC3=CC(=O)C(Cl)=C(OCC4CC4)C3=O)c2cc1OC |t:13,18|
Show InChI InChI=1S/C22H22ClN3O6/c1-29-5-6-31-18-9-14-13(7-17(18)30-2)22(25-11-24-14)26-15-8-16(27)19(23)21(20(15)28)32-10-12-3-4-12/h7-9,11-12H,3-6,10H2,1-2H3,(H,24,25,26)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of poly(Glu4-Tyr)peptide phosphorylation by recombinant VEGFR2 at 10 uM ATP


J Med Chem 48: 7560-81 (2005)


Article DOI: 10.1021/jm050559f
BindingDB Entry DOI: 10.7270/Q2028R3S
More data for this
Ligand-Target Pair
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