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3 similar compounds to monomer 50441458

Compile data set for download or QSAR
Wt: 216.0
BDBM50371434
Wt: 181.6
BDBM50371441
Wt: 181.6
BDBM50371453

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50371434,50371441,50371453   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371434
PNG
(CHEMBL1548)
Show SMILES NC1=Nc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
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43n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50371434
PNG
(CHEMBL1548)
Show SMILES NC1=Nc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
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172n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3 receptor


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50371434
PNG
(CHEMBL1548)
Show SMILES NC1=Nc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
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208n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50371434
PNG
(CHEMBL1548)
Show SMILES NC1=Nc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
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294n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50371434
PNG
(CHEMBL1548)
Show SMILES NC1=Nc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
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434n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371441
PNG
(CHEMBL536539)
Show SMILES NC1=Nc2ccc(Cl)cc2CN1
Show InChI InChI=1S/C8H8ClN3/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
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807n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50371453
PNG
(CHEMBL272752)
Show SMILES NC1=Nc2c(Cl)cccc2CN1
Show InChI InChI=1S/C8H8ClN3/c9-6-3-1-2-5-4-11-8(10)12-7(5)6/h1-3H,4H2,(H3,10,11,12)
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892n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50371434
PNG
(CHEMBL1548)
Show SMILES NC1=Nc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
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1.08E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50371434
PNG
(CHEMBL1548)
Show SMILES NC1=Nc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
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1.16E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50371434
PNG
(CHEMBL1548)
Show SMILES NC1=Nc2ccc(Cl)c(Cl)c2CN1
Show InChI InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
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1.27E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT1D receptor expressed in HEK293-EBNA cells


Bioorg Med Chem Lett 18: 256-61 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.080
BindingDB Entry DOI: 10.7270/Q2KD1ZQD
More data for this
Ligand-Target Pair