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Compile Data Set for Download or QSAR

Found 42 hits with Last Name = 'machado' and Initial = 'a'   
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


(Homo sapiens (Human))
BDBM50414860
PNG
(CHEMBL574604)
Show SMILES COc1ccccc1N1CCN(CCCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Show InChI InChI=1S/C25H30N4O3/c1-32-23-12-6-5-11-22(23)27-19-17-26(18-20-27)15-7-8-16-28-24(30)13-14-25(31)29(28)21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3
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11.0n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414857
PNG
(CHEMBL576586)
Show SMILES Clc1cccc(c1)N1CCN(CCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H23ClN4O/c22-17-5-3-6-18(15-17)25-13-11-24(12-14-25)9-4-10-26-16-23-20-8-2-1-7-19(20)21(26)27/h1-3,5-8,15-16H,4,9-14H2
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15.8n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414865
PNG
(CHEMBL573482)
Show SMILES COc1ccccc1N1CCN(CCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C28H30N4O3/c1-35-26-15-8-7-14-25(26)30-20-18-29(19-21-30)16-9-17-31-27(33)23-12-5-6-13-24(23)28(34)32(31)22-10-3-2-4-11-22/h2-8,10-15H,9,16-21H2,1H3
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30.2n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50216040
PNG
(3-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)quin...)
Show SMILES COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C23H28N4O2/c1-29-22-11-5-4-10-21(22)26-16-14-25(15-17-26)12-6-7-13-27-18-24-20-9-3-2-8-19(20)23(27)28/h2-5,8-11,18H,6-7,12-17H2,1H3
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36.3n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414866
PNG
(CHEMBL573264)
Show SMILES COc1ccccc1N1CCN(CCCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C29H32N4O3/c1-36-27-16-8-7-15-26(27)31-21-19-30(20-22-31)17-9-10-18-32-28(34)24-13-5-6-14-25(24)29(35)33(32)23-11-3-2-4-12-23/h2-8,11-16H,9-10,17-22H2,1H3
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42.7n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414858
PNG
(CHEMBL573256)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Show InChI InChI=1S/C24H27ClN4O2/c25-20-7-6-10-22(19-20)27-17-15-26(16-18-27)13-4-5-14-28-23(30)11-12-24(31)29(28)21-8-2-1-3-9-21/h1-3,6-12,19H,4-5,13-18H2
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50.1n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414861
PNG
(CHEMBL574827)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-17-24-21-9-2-1-8-20(21)22(27)28/h1-2,5-9,16-17H,3-4,10-15H2
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50.1n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414859
PNG
(CHEMBL574822)
Show SMILES COc1ccccc1N1CCN(CCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Show InChI InChI=1S/C24H28N4O3/c1-31-22-11-6-5-10-21(22)26-18-16-25(17-19-26)14-7-15-27-23(29)12-13-24(30)28(27)20-8-3-2-4-9-20/h2-6,8-13H,7,14-19H2,1H3
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53.7n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414861
PNG
(CHEMBL574827)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H25ClN4O/c23-18-6-5-7-19(16-18)26-14-12-25(13-15-26)10-3-4-11-27-17-24-21-9-2-1-8-20(21)22(27)28/h1-2,5-9,16-17H,3-4,10-15H2
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67.6n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414862
PNG
(CHEMBL583583)
Show SMILES COc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H26N4O2/c1-28-21-10-5-4-9-20(21)25-15-13-24(14-16-25)11-6-12-26-17-23-19-8-3-2-7-18(19)22(26)27/h2-5,7-10,17H,6,11-16H2,1H3
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100n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414867
PNG
(CHEMBL575032)
Show SMILES Clc1cccc(c1)N1CCN(CCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Show InChI InChI=1S/C23H25ClN4O2/c24-19-6-4-9-21(18-19)26-16-14-25(15-17-26)12-5-13-27-22(29)10-11-23(30)28(27)20-7-2-1-3-8-20/h1-4,6-11,18H,5,12-17H2
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204n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414857
PNG
(CHEMBL576586)
Show SMILES Clc1cccc(c1)N1CCN(CCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H23ClN4O/c22-17-5-3-6-18(15-17)25-13-11-24(12-14-25)9-4-10-26-16-23-20-8-2-1-7-19(20)21(26)27/h1-3,5-8,15-16H,4,9-14H2
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234n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414867
PNG
(CHEMBL575032)
Show SMILES Clc1cccc(c1)N1CCN(CCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Show InChI InChI=1S/C23H25ClN4O2/c24-19-6-4-9-21(18-19)26-16-14-25(15-17-26)12-5-13-27-22(29)10-11-23(30)28(27)20-7-2-1-3-8-20/h1-4,6-11,18H,5,12-17H2
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269n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414865
PNG
(CHEMBL573482)
Show SMILES COc1ccccc1N1CCN(CCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C28H30N4O3/c1-35-26-15-8-7-14-25(26)30-20-18-29(19-21-30)16-9-17-31-27(33)23-12-5-6-13-24(23)28(34)32(31)22-10-3-2-4-11-22/h2-8,10-15H,9,16-21H2,1H3
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302n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414866
PNG
(CHEMBL573264)
Show SMILES COc1ccccc1N1CCN(CCCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C29H32N4O3/c1-36-27-16-8-7-15-26(27)31-21-19-30(20-22-31)17-9-10-18-32-28(34)24-13-5-6-14-25(24)29(35)33(32)23-11-3-2-4-12-23/h2-8,11-16H,9-10,17-22H2,1H3
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372n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414864
PNG
(CHEMBL574828)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C28H29ClN4O2/c29-22-9-8-12-24(21-22)31-19-17-30(18-20-31)15-6-7-16-32-27(34)25-13-4-5-14-26(25)28(35)33(32)23-10-2-1-3-11-23/h1-5,8-14,21H,6-7,15-20H2
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398n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50414863
PNG
(CHEMBL573237)
Show SMILES Clc1cccc(c1)N1CCN(CCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C27H27ClN4O2/c28-21-8-6-11-23(20-21)30-18-16-29(17-19-30)14-7-15-31-26(33)24-12-4-5-13-25(24)27(34)32(31)22-9-2-1-3-10-22/h1-6,8-13,20H,7,14-19H2
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417n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cells after 120 mins


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414862
PNG
(CHEMBL583583)
Show SMILES COc1ccccc1N1CCN(CCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H26N4O2/c1-28-21-10-5-4-9-20(21)25-15-13-24(14-16-25)11-6-12-26-17-23-19-8-3-2-7-18(19)22(26)27/h2-5,7-10,17H,6,11-16H2,1H3
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457n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50216040
PNG
(3-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)quin...)
Show SMILES COc1ccccc1N1CCN(CCCCn2cnc3ccccc3c2=O)CC1
Show InChI InChI=1S/C23H28N4O2/c1-29-22-11-5-4-10-21(22)26-16-14-25(15-17-26)12-6-7-13-27-18-24-20-9-3-2-8-19(20)23(27)28/h2-5,8-11,18H,6-7,12-17H2,1H3
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562n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414864
PNG
(CHEMBL574828)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C28H29ClN4O2/c29-22-9-8-12-24(21-22)31-19-17-30(18-20-31)15-6-7-16-32-27(34)25-13-4-5-14-26(25)28(35)33(32)23-10-2-1-3-11-23/h1-5,8-14,21H,6-7,15-20H2
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575n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414863
PNG
(CHEMBL573237)
Show SMILES Clc1cccc(c1)N1CCN(CCCn2n(-c3ccccc3)c(=O)c3ccccc3c2=O)CC1
Show InChI InChI=1S/C27H27ClN4O2/c28-21-8-6-11-23(20-21)30-18-16-29(17-19-30)14-7-15-31-26(33)24-12-4-5-13-25(24)27(34)32(31)22-9-2-1-3-10-22/h1-6,8-13,20H,7,14-19H2
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661n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414860
PNG
(CHEMBL574604)
Show SMILES COc1ccccc1N1CCN(CCCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Show InChI InChI=1S/C25H30N4O3/c1-32-23-12-6-5-11-22(23)27-19-17-26(18-20-27)15-7-8-16-28-24(30)13-14-25(31)29(28)21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3
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1.45E+3n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414858
PNG
(CHEMBL573256)
Show SMILES Clc1cccc(c1)N1CCN(CCCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Show InChI InChI=1S/C24H27ClN4O2/c25-20-7-6-10-22(19-20)27-17-15-26(16-18-27)13-4-5-14-28-23(30)11-12-24(31)29(28)21-8-2-1-3-9-21/h1-3,6-12,19H,4-5,13-18H2
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1.82E+3n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50414859
PNG
(CHEMBL574822)
Show SMILES COc1ccccc1N1CCN(CCCn2n(-c3ccccc3)c(=O)ccc2=O)CC1
Show InChI InChI=1S/C24H28N4O3/c1-31-22-11-6-5-10-21(22)26-18-16-25(17-19-26)14-7-15-27-23(29)12-13-24(30)28(27)20-8-3-2-4-9-20/h2-6,8-13H,7,14-19H2,1H3
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2.14E+3n/an/an/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2A receptor in Wistar Hannover rat brain cortex membrane


Eur J Med Chem 44: 5045-54 (2009)


Article DOI: 10.1016/j.ejmech.2009.09.008
BindingDB Entry DOI: 10.7270/Q2BG2Q6P
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118114
PNG
(CHEMBL3612230)
Show SMILES Fc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1
Show InChI InChI=1S/C20H14FN3OS2/c21-13-4-6-14(7-5-13)23-20(25)24-15-2-1-3-16(12-15)27-18-8-10-22-17-9-11-26-19(17)18/h1-12H,(H2,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118116
PNG
(CHEMBL3612232)
Show SMILES Cc1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1
Show InChI InChI=1S/C21H17N3OS2/c1-14-4-2-5-15(12-14)23-21(25)24-16-6-3-7-17(13-16)27-19-8-10-22-18-9-11-26-20(18)19/h2-13H,1H3,(H2,23,24,25)
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n/an/a 11n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118117
PNG
(CHEMBL3612233)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1
Show InChI InChI=1S/C21H14F3N3OS2/c22-21(23,24)13-3-1-4-14(11-13)26-20(28)27-15-5-2-6-16(12-15)30-18-7-9-25-17-8-10-29-19(17)18/h1-12H,(H2,26,27,28)
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n/an/a 15n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118118
PNG
(CHEMBL3612234)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)ccc1Cl
Show InChI InChI=1S/C21H13ClF3N3OS2/c22-16-5-4-13(11-15(16)21(23,24)25)28-20(29)27-12-2-1-3-14(10-12)31-18-6-8-26-17-7-9-30-19(17)18/h1-11H,(H2,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118115
PNG
(CHEMBL3612231)
Show SMILES Fc1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1
Show InChI InChI=1S/C20H14FN3OS2/c21-13-3-1-4-14(11-13)23-20(25)24-15-5-2-6-16(12-15)27-18-7-9-22-17-8-10-26-19(17)18/h1-12H,(H2,23,24,25)
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n/an/a 28n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 90n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 after 1.5 to 2 hrs by TR-FRET assay


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118127
PNG
(CHEMBL3612227)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(Sc2ccnc3ccsc23)c1
Show InChI InChI=1S/C20H15N3OS2/c24-20(22-14-5-2-1-3-6-14)23-15-7-4-8-16(13-15)26-18-9-11-21-17-10-12-25-19(17)18/h1-13H,(H2,22,23,24)
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n/an/a 94n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118128
PNG
(CHEMBL3612228)
Show SMILES COc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1
Show InChI InChI=1S/C21H17N3O2S2/c1-26-16-7-5-14(6-8-16)23-21(25)24-15-3-2-4-17(13-15)28-19-9-11-22-18-10-12-27-20(18)19/h2-13H,1H3,(H2,23,24,25)
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n/an/a 107n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118113
PNG
(CHEMBL3612229)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(Sc2ccnc3ccsc23)c1
Show InChI InChI=1S/C21H14N4OS2/c22-13-14-4-6-15(7-5-14)24-21(26)25-16-2-1-3-17(12-16)28-19-8-10-23-18-9-11-27-20(18)19/h1-12H,(H2,24,25,26)
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n/an/a 206n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118122
PNG
(CHEMBL3612325)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)c1
Show InChI InChI=1S/C21H14F3N3OS2/c22-21(23,24)13-2-1-3-15(12-13)27-20(28)26-14-4-6-16(7-5-14)30-18-8-10-25-17-9-11-29-19(17)18/h1-12H,(H2,26,27,28)
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n/an/a 988n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118119
PNG
(CHEMBL3612235)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(Sc2ccnc3ccsc23)cc1
Show InChI InChI=1S/C20H15N3OS2/c24-20(22-14-4-2-1-3-5-14)23-15-6-8-16(9-7-15)26-18-10-12-21-17-11-13-25-19(17)18/h1-13H,(H2,22,23,24)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118120
PNG
(CHEMBL3612323)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)cc1
Show InChI InChI=1S/C21H17N3O2S2/c1-26-16-6-2-14(3-7-16)23-21(25)24-15-4-8-17(9-5-15)28-19-10-12-22-18-11-13-27-20(18)19/h2-13H,1H3,(H2,23,24,25)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118123
PNG
(CHEMBL3612326)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)ccc1Cl
Show InChI InChI=1S/C21H13ClF3N3OS2/c22-16-6-3-13(11-15(16)21(23,24)25)28-20(29)27-12-1-4-14(5-2-12)31-18-7-9-26-17-8-10-30-19(17)18/h1-11H,(H2,27,28,29)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118121
PNG
(CHEMBL3612324)
Show SMILES O=C(Nc1ccc(Sc2ccnc3ccsc23)cc1)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C21H14N4OS2/c22-13-14-1-3-15(4-2-14)24-21(26)25-16-5-7-17(8-6-16)28-19-9-11-23-18-10-12-27-20(18)19/h1-12H,(H2,24,25,26)
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n/an/a 8.36E+3n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118126
PNG
(CHEMBL3612226)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1ccccc1Sc1ccnc2ccsc12
Show InChI InChI=1S/C21H14N4OS2/c22-13-14-5-7-15(8-6-14)24-21(26)25-16-3-1-2-4-18(16)28-19-9-11-23-17-10-12-27-20(17)19/h1-12H,(H2,24,25,26)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118124
PNG
(CHEMBL3612224)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1Sc1ccnc2ccsc12
Show InChI InChI=1S/C20H15N3OS2/c24-20(22-14-6-2-1-3-7-14)23-15-8-4-5-9-17(15)26-18-10-12-21-16-11-13-25-19(16)18/h1-13H,(H2,22,23,24)
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118125
PNG
(CHEMBL3612225)
Show SMILES COc1ccc(NC(=O)Nc2ccccc2Sc2ccnc3ccsc23)cc1
Show InChI InChI=1S/C21H17N3O2S2/c1-26-15-8-6-14(7-9-15)23-21(25)24-16-4-2-3-5-18(16)28-19-10-12-22-17-11-13-27-20(17)19/h2-13H,1H3,(H2,23,24,25)
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair