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Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'jalali-heravi' and Initial = 'm'   
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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375936
PNG
(CHEMBL260907)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H34FN5O3/c1-2-40-28-12-7-6-11-27(28)36-19-17-35(18-20-36)16-8-13-30(38)33-22-29-34-26-15-14-23(32)21-25(26)31(39)37(29)24-9-4-3-5-10-24/h3-7,9-12,14-15,21H,2,8,13,16-20,22H2,1H3,(H,33,38)
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n/an/a 12.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375924
PNG
(CHEMBL261742)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2cccc(OC)c2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-11-5-4-10-28(29)37-18-16-36(17-19-37)15-7-12-31(39)34-22-30-35-27-14-13-23(33)20-26(27)32(40)38(30)24-8-6-9-25(21-24)41-2/h4-6,8-11,13-14,20-21H,3,7,12,15-19,22H2,1-2H3,(H,34,39)
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n/an/a 16n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 16n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375953
PNG
(CHEMBL258785)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H34FN5O3/c1-2-40-28-12-7-6-11-27(28)36-19-17-35(18-20-36)16-8-13-30(38)33-22-29-34-26-21-23(32)14-15-25(26)31(39)37(29)24-9-4-3-5-10-24/h3-7,9-12,14-15,21H,2,8,13,16-20,22H2,1H3,(H,33,38)
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n/an/a 19.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375970
PNG
(CHEMBL428781)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C30H33N5O3/c1-38-27-15-8-7-14-26(27)34-20-18-33(19-21-34)17-9-16-29(36)31-22-28-32-25-13-6-5-12-24(25)30(37)35(28)23-10-3-2-4-11-23/h2-8,10-15H,9,16-22H2,1H3,(H,31,36)
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n/an/a 21.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375909
PNG
(CHEMBL261231)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H35N5O3/c1-2-39-28-16-9-8-15-27(28)35-21-19-34(20-22-35)18-10-17-30(37)32-23-29-33-26-14-7-6-13-25(26)31(38)36(29)24-11-4-3-5-12-24/h3-9,11-16H,2,10,17-23H2,1H3,(H,32,37)
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n/an/a 26n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375932
PNG
(CHEMBL408717)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1
Show InChI InChI=1S/C32H37N5O4/c1-3-41-29-16-9-6-13-26(29)36-21-19-35(20-22-36)18-10-17-31(38)33-23-30-34-25-12-5-4-11-24(25)32(39)37(30)27-14-7-8-15-28(27)40-2/h4-9,11-16H,3,10,17-23H2,1-2H3,(H,33,38)
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n/an/a 29.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375922
PNG
(CHEMBL260756)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H37N5O4/c1-3-41-29-12-7-6-11-28(29)36-21-19-35(20-22-36)18-8-13-31(38)33-23-30-34-27-10-5-4-9-26(27)32(39)37(30)24-14-16-25(40-2)17-15-24/h4-7,9-12,14-17H,3,8,13,18-23H2,1-2H3,(H,33,38)
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n/an/a 29.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375915
PNG
(CHEMBL436700)
Show SMILES CCOc1ccccc1N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C30H33N5O3/c1-2-38-27-15-9-8-14-26(27)34-20-18-33(19-21-34)17-16-29(36)31-22-28-32-25-13-7-6-12-24(25)30(37)35(28)23-10-4-3-5-11-23/h3-15H,2,16-22H2,1H3,(H,31,36)
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n/an/a 45.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375929
PNG
(CHEMBL259001)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2OC)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-12-7-4-9-26(29)37-19-17-36(18-20-37)16-8-13-31(39)34-22-30-35-25-15-14-23(33)21-24(25)32(40)38(30)27-10-5-6-11-28(27)41-2/h4-7,9-12,14-15,21H,3,8,13,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 48.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375921
PNG
(CHEMBL259199)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-21-23(33)10-15-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 49.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375963
PNG
(CHEMBL259408)
Show SMILES Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1ccccc1Cl)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C29H29ClFN5O2/c30-24-9-4-5-10-26(24)35-17-15-34(16-18-35)14-6-11-28(37)32-20-27-33-25-19-21(31)12-13-23(25)29(38)36(27)22-7-2-1-3-8-22/h1-5,7-10,12-13,19H,6,11,14-18,20H2,(H,32,37)
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n/an/a 52n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375927
PNG
(CHEMBL260022)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)CC1
Show InChI InChI=1S/C32H37N5O4/c1-3-41-29-15-7-6-14-28(29)36-20-18-35(19-21-36)17-9-16-31(38)33-23-30-34-27-13-5-4-12-26(27)32(39)37(30)24-10-8-11-25(22-24)40-2/h4-8,10-15,22H,3,9,16-21,23H2,1-2H3,(H,33,38)
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n/an/a 55.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375943
PNG
(CHEMBL261434)
Show SMILES Cc1cccc(N2CCN(CCCC(=O)NCc3nc4ccc(F)cc4c(=O)n3-c3ccccc3)CC2)c1C
Show InChI InChI=1S/C31H34FN5O2/c1-22-8-6-11-28(23(22)2)36-18-16-35(17-19-36)15-7-12-30(38)33-21-29-34-27-14-13-24(32)20-26(27)31(39)37(29)25-9-4-3-5-10-25/h3-6,8-11,13-14,20H,7,12,15-19,21H2,1-2H3,(H,33,38)
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n/an/a 55.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375935
PNG
(CHEMBL260906)
Show SMILES Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C30H29F4N5O2/c31-22-11-12-26-25(19-22)29(41)39(23-7-2-1-3-8-23)27(36-26)20-35-28(40)10-5-13-37-14-16-38(17-15-37)24-9-4-6-21(18-24)30(32,33)34/h1-4,6-9,11-12,18-19H,5,10,13-17,20H2,(H,35,40)
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n/an/a 74.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375960
PNG
(CHEMBL261102)
Show SMILES Cc1cccc(N2CCN(CCCC(=O)NCc3nc4cc(F)ccc4c(=O)n3-c3ccccc3)CC2)c1C
Show InChI InChI=1S/C31H34FN5O2/c1-22-8-6-11-28(23(22)2)36-18-16-35(17-19-36)15-7-12-30(38)33-21-29-34-27-20-24(32)13-14-26(27)31(39)37(29)25-9-4-3-5-10-25/h3-6,8-11,13-14,20H,7,12,15-19,21H2,1-2H3,(H,33,38)
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n/an/a 75.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375930
PNG
(CHEMBL409156)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2OC)CC1
Show InChI InChI=1S/C31H34FN5O4/c1-40-27-10-5-3-8-25(27)36-18-16-35(17-19-36)15-7-12-30(38)33-21-29-34-24-14-13-22(32)20-23(24)31(39)37(29)26-9-4-6-11-28(26)41-2/h3-6,8-11,13-14,20H,7,12,15-19,21H2,1-2H3,(H,33,38)
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n/an/a 79.1n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375986
PNG
(CHEMBL259626)
Show SMILES COc1ccccc1N1CCN(CCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C29H31N5O3/c1-37-26-14-8-7-13-25(26)33-19-17-32(18-20-33)16-15-28(35)30-21-27-31-24-12-6-5-11-23(24)29(36)34(27)22-9-3-2-4-10-22/h2-14H,15-21H2,1H3,(H,30,35)
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n/an/a 80.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375956
PNG
(CHEMBL260705)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C30H32FN5O3/c1-39-27-11-6-5-10-26(27)35-18-16-34(17-19-35)15-7-12-29(37)32-21-28-33-25-20-22(31)13-14-24(25)30(38)36(28)23-8-3-2-4-9-23/h2-6,8-11,13-14,20H,7,12,15-19,21H2,1H3,(H,32,37)
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n/an/a 84.9n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375926
PNG
(CHEMBL258995)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2cccc(OC)c2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-11-5-4-10-28(29)37-18-16-36(17-19-37)15-7-12-31(39)34-22-30-35-27-20-23(33)13-14-26(27)32(40)38(30)24-8-6-9-25(21-24)41-2/h4-6,8-11,13-14,20-21H,3,7,12,15-19,22H2,1-2H3,(H,34,39)
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n/an/a 91.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375952
PNG
(CHEMBL261019)
Show SMILES Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C30H29F4N5O2/c31-22-11-12-25-26(19-22)36-27(39(29(25)41)23-7-2-1-3-8-23)20-35-28(40)10-5-13-37-14-16-38(17-15-37)24-9-4-6-21(18-24)30(32,33)34/h1-4,6-9,11-12,18-19H,5,10,13-17,20H2,(H,35,40)
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n/an/a 92.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375988
PNG
(CHEMBL261291)
Show SMILES Cc1cccc(N2CCN(CCC(=O)NCc3nc4ccccc4c(=O)n3-c3ccccc3)CC2)c1C
Show InChI InChI=1S/C30H33N5O2/c1-22-9-8-14-27(23(22)2)34-19-17-33(18-20-34)16-15-29(36)31-21-28-32-26-13-7-6-12-25(26)30(37)35(28)24-10-4-3-5-11-24/h3-14H,15-21H2,1-2H3,(H,31,36)
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n/an/a 95.1n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375923
PNG
(CHEMBL258956)
Show SMILES COc1ccc(cc1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccccc2c1=O
Show InChI InChI=1S/C31H35N5O4/c1-39-24-15-13-23(14-16-24)36-29(33-26-9-4-3-8-25(26)31(36)38)22-32-30(37)12-7-17-34-18-20-35(21-19-34)27-10-5-6-11-28(27)40-2/h3-6,8-11,13-16H,7,12,17-22H2,1-2H3,(H,32,37)
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n/an/a 97.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375928
PNG
(CHEMBL407411)
Show SMILES COc1cccc(c1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccccc2c1=O
Show InChI InChI=1S/C31H35N5O4/c1-39-24-10-7-9-23(21-24)36-29(33-26-12-4-3-11-25(26)31(36)38)22-32-30(37)15-8-16-34-17-19-35(20-18-34)27-13-5-6-14-28(27)40-2/h3-7,9-14,21H,8,15-20,22H2,1-2H3,(H,32,37)
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n/an/a 98.0n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375975
PNG
(CHEMBL260073)
Show SMILES Clc1cccc(c1)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C29H30ClN5O2/c30-22-8-6-11-24(20-22)34-18-16-33(17-19-34)15-7-14-28(36)31-21-27-32-26-13-5-4-12-25(26)29(37)35(27)23-9-2-1-3-10-23/h1-6,8-13,20H,7,14-19,21H2,(H,31,36)
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n/an/a 110n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375931
PNG
(CHEMBL260514)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3cc(F)ccc3c(=O)n2-c2ccccc2OC)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-12-7-4-9-26(29)37-19-17-36(18-20-37)16-8-13-31(39)34-22-30-35-25-21-23(33)14-15-24(25)32(40)38(30)27-10-5-6-11-28(27)41-2/h4-7,9-12,14-15,21H,3,8,13,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 110n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375939
PNG
(CHEMBL259776)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C30H32FN5O3/c1-39-27-11-6-5-10-26(27)35-18-16-34(17-19-35)15-7-12-29(37)32-21-28-33-25-14-13-22(31)20-24(25)30(38)36(28)23-8-3-2-4-9-23/h2-6,8-11,13-14,20H,7,12,15-19,21H2,1H3,(H,32,37)
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n/an/a 120n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375912
PNG
(CHEMBL260074)
Show SMILES Clc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C29H30ClN5O2/c30-24-12-5-7-14-26(24)34-19-17-33(18-20-34)16-8-15-28(36)31-21-27-32-25-13-6-4-11-23(25)29(37)35(27)22-9-2-1-3-10-22/h1-7,9-14H,8,15-21H2,(H,31,36)
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n/an/a 130n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375946
PNG
(CHEMBL260970)
Show SMILES Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C29H29ClFN5O2/c30-21-6-4-9-24(18-21)35-16-14-34(15-17-35)13-5-10-28(37)32-20-27-33-26-12-11-22(31)19-25(26)29(38)36(27)23-7-2-1-3-8-23/h1-4,6-9,11-12,18-19H,5,10,13-17,20H2,(H,32,37)
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n/an/a 130n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375911
PNG
(CHEMBL260706)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C29H29Cl2N5O2/c30-24-13-12-22(19-25(24)31)35-17-15-34(16-18-35)14-6-11-28(37)32-20-27-33-26-10-5-4-9-23(26)29(38)36(27)21-7-2-1-3-8-21/h1-5,7-10,12-13,19H,6,11,14-18,20H2,(H,32,37)
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n/an/a 160n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375920
PNG
(CHEMBL259407)
Show SMILES COc1ccc(cc1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccc(F)cc2c1=O
Show InChI InChI=1S/C31H34FN5O4/c1-40-24-12-10-23(11-13-24)37-29(34-26-14-9-22(32)20-25(26)31(37)39)21-33-30(38)8-5-15-35-16-18-36(19-17-35)27-6-3-4-7-28(27)41-2/h3-4,6-7,9-14,20H,5,8,15-19,21H2,1-2H3,(H,33,38)
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n/an/a 190n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375907
PNG
(CHEMBL411105)
Show SMILES Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1cccc(Cl)c1)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C29H29ClFN5O2/c30-21-6-4-9-24(18-21)35-16-14-34(15-17-35)13-5-10-28(37)32-20-27-33-26-19-22(31)11-12-25(26)29(38)36(27)23-7-2-1-3-8-23/h1-4,6-9,11-12,18-19H,5,10,13-17,20H2,(H,32,37)
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n/an/a 190n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375910
PNG
(CHEMBL259827)
Show SMILES Cc1ccc(cc1C)N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H35N5O2/c1-23-14-15-26(21-24(23)2)35-19-17-34(18-20-35)16-8-13-30(37)32-22-29-33-28-12-7-6-11-27(28)31(38)36(29)25-9-4-3-5-10-25/h3-7,9-12,14-15,21H,8,13,16-20,22H2,1-2H3,(H,32,37)
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375947
PNG
(CHEMBL405892)
Show SMILES Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3ccccc3Cl)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C29H29ClFN5O2/c30-24-9-4-5-10-26(24)35-17-15-34(16-18-35)14-6-11-28(37)32-20-27-33-25-13-12-21(31)19-23(25)29(38)36(27)22-7-2-1-3-8-22/h1-5,7-10,12-13,19H,6,11,14-18,20H2,(H,32,37)
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375941
PNG
(CHEMBL261149)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H34FN5O2/c1-22-10-11-23(2)28(19-22)36-17-15-35(16-18-36)14-6-9-30(38)33-21-29-34-27-13-12-24(32)20-26(27)31(39)37(29)25-7-4-3-5-8-25/h3-5,7-8,10-13,19-20H,6,9,14-18,21H2,1-2H3,(H,33,38)
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165639
PNG
((2-{4-[2-(2,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)cc2Cl)cc1F
Show InChI InChI=1S/C24H15Cl2FN2O4/c25-15-4-6-19(17(26)12-15)28-22(30)8-3-13-1-5-16(18(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165669
PNG
((2-{4-[2-(3-Bromo-phenylcarbamoyl)-vinyl]-2-fluoro...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2cccc(Br)c2)cc1F
Show InChI InChI=1S/C24H16BrFN2O4/c25-16-2-1-3-17(13-16)27-22(29)9-6-14-4-7-18(19(26)10-14)24-28-20-11-15(12-23(30)31)5-8-21(20)32-24/h1-11,13H,12H2,(H,27,29)(H,30,31)/b9-6+
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165660
PNG
(2-(3-(5-(4-chlorophenyl)benzo[d]oxazol-2-yl)-4-(pr...)
Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc(Cl)cc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C31H22ClN3O5/c1-2-13-33-25-11-9-21(35-29(36)22-10-5-19(31(38)39)14-23(22)30(35)37)16-24(25)28-34-26-15-18(6-12-27(26)40-28)17-3-7-20(32)8-4-17/h3-12,14-16,33H,2,13H2,1H3,(H,38,39)
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147546
PNG
(2-(3-(5-(benzo[d][1,3]dioxol-5-yl)benzo[d]oxazol-2...)
Show SMILES COc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccc2OCOc2c1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C30H18N2O8/c1-37-23-9-5-18(32-28(33)19-6-2-17(30(35)36)10-20(19)29(32)34)13-21(23)27-31-22-11-15(3-7-24(22)40-27)16-4-8-25-26(12-16)39-14-38-25/h2-13H,14H2,1H3,(H,35,36)
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165653
PNG
((2-{4-[2-(3,4-Dichloro-phenylcarbamoyl)-vinyl]-2-f...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(Cl)c(Cl)c2)cc1F
Show InChI InChI=1S/C24H15Cl2FN2O4/c25-17-6-4-15(12-18(17)26)28-22(30)8-3-13-1-5-16(19(27)9-13)24-29-20-10-14(11-23(31)32)2-7-21(20)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-3+
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n/an/a 200n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375933
PNG
(CHEMBL260902)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1
Show InChI InChI=1S/C31H35N5O4/c1-39-27-14-7-5-12-25(27)35-20-18-34(19-21-35)17-9-16-30(37)32-22-29-33-24-11-4-3-10-23(24)31(38)36(29)26-13-6-8-15-28(26)40-2/h3-8,10-15H,9,16-22H2,1-2H3,(H,32,37)
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n/an/a 210n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375925
PNG
(CHEMBL260804)
Show SMILES COc1cccc(c1)-n1c(CNC(=O)CCCN2CCN(CC2)c2ccccc2OC)nc2ccc(F)cc2c1=O
Show InChI InChI=1S/C31H34FN5O4/c1-40-24-8-5-7-23(20-24)37-29(34-26-13-12-22(32)19-25(26)31(37)39)21-33-30(38)11-6-14-35-15-17-36(18-16-35)27-9-3-4-10-28(27)41-2/h3-5,7-10,12-13,19-20H,6,11,14-18,21H2,1-2H3,(H,33,38)
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n/an/a 230n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50147534
PNG
(1,3-Dioxo-2-[3-(5-phenyl-benzooxazol-2-yl)-4-propy...)
Show SMILES CCCNc1ccc(cc1-c1nc2cc(ccc2o1)-c1ccccc1)N1C(=O)c2ccc(cc2C1=O)C(O)=O
Show InChI InChI=1S/C31H23N3O5/c1-2-14-32-25-12-10-21(34-29(35)22-11-8-20(31(37)38)15-23(22)30(34)36)17-24(25)28-33-26-16-19(9-13-27(26)39-28)18-6-4-3-5-7-18/h3-13,15-17,32H,2,14H2,1H3,(H,37,38)
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n/an/a 251n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375940
PNG
(CHEMBL411104)
Show SMILES Cc1ccc(cc1C)N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccccc2)CC1
Show InChI InChI=1S/C31H34FN5O2/c1-22-10-12-26(19-23(22)2)36-17-15-35(16-18-36)14-6-9-30(38)33-21-29-34-28-13-11-24(32)20-27(28)31(39)37(29)25-7-4-3-5-8-25/h3-5,7-8,10-13,19-20H,6,9,14-18,21H2,1-2H3,(H,33,38)
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n/an/a 260n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375944
PNG
(CHEMBL407966)
Show SMILES Fc1ccc2nc(CNC(=O)CCCN3CCN(CC3)c3ccc(Cl)c(Cl)c3)n(-c3ccccc3)c(=O)c2c1
Show InChI InChI=1S/C29H28Cl2FN5O2/c30-24-10-9-22(18-25(24)31)36-15-13-35(14-16-36)12-4-7-28(38)33-19-27-34-26-11-8-20(32)17-23(26)29(39)37(27)21-5-2-1-3-6-21/h1-3,5-6,8-11,17-18H,4,7,12-16,19H2,(H,33,38)
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n/an/a 270n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165614
PNG
((2-{4-[3-((E)-3-Chloro-2-fluoro-phenyl)-acryloylam...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2cccc(Cl)c2F)c(F)c1
Show InChI InChI=1S/C24H15ClF2N2O4/c25-16-3-1-2-14(23(16)27)6-9-21(30)28-18-7-5-15(12-17(18)26)24-29-19-10-13(11-22(31)32)4-8-20(19)33-24/h1-10,12H,11H2,(H,28,30)(H,31,32)/b9-6+
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n/an/a 302n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165638
PNG
((2-{4-[2-(4-Cyano-phenylcarbamoyl)-vinyl]-2-fluoro...)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(\C=C\C(=O)Nc2ccc(cc2)C#N)cc1F
Show InChI InChI=1S/C25H16FN3O4/c26-20-11-15(5-10-23(30)28-18-6-1-16(14-27)2-7-18)3-8-19(20)25-29-21-12-17(13-24(31)32)4-9-22(21)33-25/h1-12H,13H2,(H,28,30)(H,31,32)/b10-5+
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n/an/a 302n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165640
PNG
(2-(4-(5-(2-chloro-4-(3-(2,4-dichlorophenyl)acrylam...)
Show SMILES OC(=O)Cc1nc(cs1)-c1ccc(o1)-c1ccc(NC(=O)\C=C\c2ccc(Cl)cc2Cl)cc1Cl
Show InChI InChI=1S/C24H15Cl3N2O4S/c25-14-3-1-13(17(26)9-14)2-8-22(30)28-15-4-5-16(18(27)10-15)20-6-7-21(33-20)19-12-34-23(29-19)11-24(31)32/h1-10,12H,11H2,(H,28,30)(H,31,32)/b8-2+
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n/an/a 302n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50165627
PNG
((2-{4-[2-(3-Fluoro-4-methoxy-phenylcarbamoyl)-viny...)
Show SMILES COc1ccc(NC(=O)\C=C\c2ccc(cc2)-c2nc3cc(CC(O)=O)ccc3o2)cc1F
Show InChI InChI=1S/C25H19FN2O5/c1-32-21-10-8-18(14-19(21)26)27-23(29)11-5-15-2-6-17(7-3-15)25-28-20-12-16(13-24(30)31)4-9-22(20)33-25/h2-12,14H,13H2,1H3,(H,27,29)(H,30,31)/b11-5+
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n/an/a 302n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
Heparanase


(Homo sapiens (Human))
BDBM50412099
PNG
(CHEMBL522358)
Show SMILES OC(=O)Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)\C=C\c2ccc(F)cc2F)c(F)c1
Show InChI InChI=1S/C24H15F3N2O4/c25-16-5-2-14(17(26)12-16)4-8-22(30)28-19-6-3-15(11-18(19)27)24-29-20-9-13(10-23(31)32)1-7-21(20)33-24/h1-9,11-12H,10H2,(H,28,30)(H,31,32)/b8-4+
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n/an/a 347n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of heparanase


Eur J Med Chem 43: 548-56 (2008)


Article DOI: 10.1016/j.ejmech.2007.04.014
BindingDB Entry DOI: 10.7270/Q2PC33KM
More data for this
Ligand-Target Pair
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