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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for monomerid = 78940   
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


(Homo sapiens (Human))
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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n/an/an/an/a 0.600n/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid from human recombinant 5HT7 receptor expressed in CHO cells


J Nat Prod 69: 432-5 (2006)


Article DOI: 10.1021/np058114h
BindingDB Entry DOI: 10.7270/Q2V98907
More data for this
Ligand-Target Pair
G protein-coupled receptor


(Human cytomegalovirus)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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n/an/an/an/a 330n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Allosteric modulatory activity at FLAG-tagged human cytomegalovirus US28 receptor delta300 mutant expressed in HEK293T cells by PathDetectElk1 assay


Bioorg Med Chem Lett 24: 3744-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.082
BindingDB Entry DOI: 10.7270/Q27H1NJC
More data for this
Ligand-Target Pair
G protein-coupled receptor


(Human cytomegalovirus)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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n/an/an/an/a 331n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Allosteric modulatory activity at FLAG-tagged human cytomegalovirus US28 receptor delta300 mutant expressed in HEK293T cells by PathDetectElk1 assay


Bioorg Med Chem Lett 24: 3744-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.082
BindingDB Entry DOI: 10.7270/Q27H1NJC
More data for this
Ligand-Target Pair
G-protein coupled receptor homolog US28


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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n/an/an/an/a 350n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Allosteric modulatory activity at FLAG-tagged wild type human cytomegalovirus US28 receptor expressed in HEK293T cells by PathDetectElk1 assay


Bioorg Med Chem Lett 24: 3744-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.082
BindingDB Entry DOI: 10.7270/Q27H1NJC
More data for this
Ligand-Target Pair
G-protein coupled receptor homolog US28


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
PDB

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MCE
PC cid
PC sid
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Article
PubMed
n/an/an/an/a 355n/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Allosteric modulatory activity at FLAG-tagged wild type human cytomegalovirus US28 receptor expressed in HEK293T cells by PathDetectElk1 assay


Bioorg Med Chem Lett 24: 3744-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.082
BindingDB Entry DOI: 10.7270/Q27H1NJC
More data for this
Ligand-Target Pair