BDBM50130270 5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid ((S)-3-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl-4-methoxy-phenyl)-amide::5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [3-(hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-4-methoxy-phenyl]-amide::CHEMBL29433
SMILES: COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
InChI Key: InChIKey=DVALOPXWVWHIHY-SFHVURJKSA-N
Data: 17 KI
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense Curated by ChEMBL | Assay Description Binding affinity for human 5-hydroxytryptamine 6 receptor | J Med Chem 48: 4216-9 (2005) Checked by Author Article DOI: 10.1021/jm050247c BindingDB Entry DOI: 10.7270/Q2736SD0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 6 receptor in HeLa cells, using [3H]5-LSD as radioligand; n... | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense de Madrid Curated by ChEMBL | Assay Description Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells | J Med Chem 57: 7160-81 (2014) Article DOI: 10.1021/jm5003952 BindingDB Entry DOI: 10.7270/Q2X92CZZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 6 (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Virginia Commonwealth University Curated by ChEMBL | Assay Description Binding affinity towards human 5-hydroxytryptamine 6 receptor | J Med Chem 46: 2795-812 (2003) Article DOI: 10.1021/jm030030n BindingDB Entry DOI: 10.7270/Q2M0465F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1D receptor in CHO cells, using [3H]5-HT as radioligand | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1A receptor in HEK293 cells, using [3H]8-OH-DPAT as radioli... | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2A receptor in HEK293 cells, using [3H]ketanserin as radiol... | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1F receptor in CHO cells, using [3H]5-HT as radioligand | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned Dopamine receptor D3 in CHO cells, using [125I]iodosulpride as radioligand | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2C (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2C receptor in HEK293 cells, using [3H]5-mesulergine as rad... | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1B receptor in CHO cells, using [3H]5-HT as radioligand | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 7 (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 7 receptor in HEK293 cells, using [3H]5-CT as radioligand | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2B (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 2B receptor in HEK293 cells, using [3H]5-HT as radioligand | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 1E receptor in CHO cells, using [3H]5-HT as radioligand | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adrenergic receptor alpha (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards Alpha-1B adrenergic receptor | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned Dopamine receptor D2 in CHO cells, using [125I]iodosulpride as radioligand | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serotonin (5-HT) receptor (Homo sapiens (Human)) | BDBM50130270 (5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description The compound was tested for the binding affinity towards human cloned 5-hydroxytryptamine 4 receptor in HeLa cells, using [3H]LSD as radioligand | Bioorg Med Chem Lett 12: 1357-60 (2002) BindingDB Entry DOI: 10.7270/Q2NK3H7V | |||||||||||
More data for this Ligand-Target Pair |