BDBM50078561 CHEMBL1204203::CHEMBL416266::Ethanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide::Ethanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide (EF-7412)
SMILES: CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
InChI Key: InChIKey=OHRUJLACQQIEJZ-UHFFFAOYSA-N
Data: 11 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense Curated by ChEMBL | Assay Description In vitro binding affinity towards D2 receptor was determined | J Med Chem 44: 186-97 (2001) BindingDB Entry DOI: 10.7270/Q2RN38MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Mus musculus (Mouse)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 22 | 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 of the compound towards Dopamine receptor D2 | Bioorg Med Chem Lett 9: 1679-82 (1999) BindingDB Entry DOI: 10.7270/Q2R210JP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense Curated by ChEMBL | Assay Description In vitro binding affinity towards 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes | J Med Chem 44: 198-207 (2001) BindingDB Entry DOI: 10.7270/Q2MW2HWS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes | J Med Chem 48: 2548-2558 (2005) Article DOI: 10.1021/jm048999e BindingDB Entry DOI: 10.7270/Q23F4PNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Complutense Curated by ChEMBL | Assay Description In vitro binding affinity towards 5-hydroxytryptamine 1A receptor was determined using radioligand [3H]-8-OH-DPAT | J Med Chem 44: 186-97 (2001) BindingDB Entry DOI: 10.7270/Q2RN38MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 27 | 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 of the compound towards 5-HT1A receptor | Bioorg Med Chem Lett 9: 1679-82 (1999) BindingDB Entry DOI: 10.7270/Q2R210JP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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 |
Universidad Complutense Curated by ChEMBL | Assay Description In vitro binding affinity towards 5-hydroxytryptamine 2A receptor was determined | J Med Chem 44: 186-97 (2001) BindingDB Entry DOI: 10.7270/Q2RN38MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 adrenergic receptor (Mus musculus (Mouse)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | MMDB UniProtKB/SwissProt 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 |
Universidad Complutense Curated by ChEMBL | Assay Description Binding affinity towards Alpha-1 adrenergic receptor | Bioorg Med Chem Lett 9: 1679-82 (1999) BindingDB Entry DOI: 10.7270/Q2R210JP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 4 (5-HT4) (Homo sapiens (Human)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | UniProtKB/SwissProt UniProtKB/TrEMBL 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 |
Universidad Complutense Curated by ChEMBL | Assay Description In vitro binding affinity towards 5-HT4 receptor was determined | J Med Chem 44: 186-97 (2001) BindingDB Entry DOI: 10.7270/Q2RN38MH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes | J Med Chem 48: 2548-2558 (2005) Article DOI: 10.1021/jm048999e BindingDB Entry DOI: 10.7270/Q23F4PNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50078561 (CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...) | PDB 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 |
Universidad Complutense Curated by ChEMBL | Assay Description In vitro binding affinity towards 5-hydroxytryptamine 3 receptor was determined | J Med Chem 44: 186-97 (2001) BindingDB Entry DOI: 10.7270/Q2RN38MH | |||||||||||
More data for this Ligand-Target Pair |