Found 4 hits for monomerid = 50530422 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 3A
(Homo sapiens (Human)) | BDBM50530422
(CHEMBL4468363)Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2nccn2c1 |(8.45,-32.6,;9.78,-31.83,;9.78,-30.3,;11.11,-29.53,;11.11,-27.99,;9.78,-27.22,;12.45,-27.22,;12.45,-25.68,;13.78,-24.92,;13.78,-23.37,;12.45,-22.6,;11.11,-23.37,;11.11,-24.92,;12.85,-24.59,;12.17,-23.45,;12.45,-30.3,;13.91,-29.82,;14.82,-31.06,;13.91,-32.31,;12.45,-31.83,;11.11,-32.6,)| Show InChI InChI=1S/C15H17ClN4O/c16-11-7-12(14-17-3-6-20(14)8-11)15(21)18-13-9-19-4-1-10(13)2-5-19/h3,6-8,10,13H,1-2,4-5,9H2,(H,18,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5-HT3 receptor (unknown origin) |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50530422
(CHEMBL4468363)Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2nccn2c1 |(8.45,-32.6,;9.78,-31.83,;9.78,-30.3,;11.11,-29.53,;11.11,-27.99,;9.78,-27.22,;12.45,-27.22,;12.45,-25.68,;13.78,-24.92,;13.78,-23.37,;12.45,-22.6,;11.11,-23.37,;11.11,-24.92,;12.85,-24.59,;12.17,-23.45,;12.45,-30.3,;13.91,-29.82,;14.82,-31.06,;13.91,-32.31,;12.45,-31.83,;11.11,-32.6,)| Show InChI InChI=1S/C15H17ClN4O/c16-11-7-12(14-17-3-6-20(14)8-11)15(21)18-13-9-19-4-1-10(13)2-5-19/h3,6-8,10,13H,1-2,4-5,9H2,(H,18,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5-HT3 receptor (unknown origin) |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50530422
(CHEMBL4468363)Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2nccn2c1 |(8.45,-32.6,;9.78,-31.83,;9.78,-30.3,;11.11,-29.53,;11.11,-27.99,;9.78,-27.22,;12.45,-27.22,;12.45,-25.68,;13.78,-24.92,;13.78,-23.37,;12.45,-22.6,;11.11,-23.37,;11.11,-24.92,;12.85,-24.59,;12.17,-23.45,;12.45,-30.3,;13.91,-29.82,;14.82,-31.06,;13.91,-32.31,;12.45,-31.83,;11.11,-32.6,)| Show InChI InChI=1S/C15H17ClN4O/c16-11-7-12(14-17-3-6-20(14)8-11)15(21)18-13-9-19-4-1-10(13)2-5-19/h3,6-8,10,13H,1-2,4-5,9H2,(H,18,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5-HT3 receptor (unknown origin) |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111569 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50530422
(CHEMBL4468363)Show SMILES Clc1cc(C(=O)NC2CN3CCC2CC3)c2nccn2c1 |(8.45,-32.6,;9.78,-31.83,;9.78,-30.3,;11.11,-29.53,;11.11,-27.99,;9.78,-27.22,;12.45,-27.22,;12.45,-25.68,;13.78,-24.92,;13.78,-23.37,;12.45,-22.6,;11.11,-23.37,;11.11,-24.92,;12.85,-24.59,;12.17,-23.45,;12.45,-30.3,;13.91,-29.82,;14.82,-31.06,;13.91,-32.31,;12.45,-31.83,;11.11,-32.6,)| Show InChI InChI=1S/C15H17ClN4O/c16-11-7-12(14-17-3-6-20(14)8-11)15(21)18-13-9-19-4-1-10(13)2-5-19/h3,6-8,10,13H,1-2,4-5,9H2,(H,18,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Palack£ University
Curated by ChEMBL
| Assay Description
Antagonist activity at 5-HT3 receptor (unknown origin) |
Eur J Med Chem 181: (2019)
Article DOI: 10.1016/j.ejmech.2019.111569 |
More data for this
Ligand-Target Pair | |
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