BDBM50330788 CHEMBL1277500::N1-Methyl-N2-phenyl-N2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-ethane-1,2-diamine
SMILES: CNCCN(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
InChI Key: InChIKey=LBBBRPSDINTRFT-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50330788 (CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-N-R-methylhistamine from human H3 receptor isolated from C6 cells | J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Rattus norvegicus (rat)) | BDBM50330788 (CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]-N-R-methylhistamine from rat H3 receptor | J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50330788 (CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | >70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of SERT | J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transporter (Rattus norvegicus (rat)) | BDBM50330788 (CHEMBL1277500 | N1-Methyl-N2-phenyl-N2-(4-(2-(pyrr...) | Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex | J Med Chem 53: 7869-73 (2010) Article DOI: 10.1021/jm100666w BindingDB Entry DOI: 10.7270/Q2P84C4F | |||||||||||
More data for this Ligand-Target Pair |