Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 330.5 BDBM50049096

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50049096 (2-(5-Undecyloxy-1H-indol-3-yl)-ethylamine | CHEMBL...) Show SMILES CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C21H34N2O/c1-2-3-4-5-6-7-8-9-10-15-24-19-11-12-21-20(16-19)18(13-14-22)17-23-21/h11-12,16-17,23H,2-10,13-15,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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 for recombinant human 5-hydroxytryptamine 1D receptor beta was determined using [3H]-5-HT as radioligand				J Med Chem 39: 314-22 (1996) Article DOI: 10.1021/jm950498t BindingDB Entry DOI: 10.7270/Q2DJ5DRK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50049096 (2-(5-Undecyloxy-1H-indol-3-yl)-ethylamine | CHEMBL...) Show SMILES CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C21H34N2O/c1-2-3-4-5-6-7-8-9-10-15-24-19-11-12-21-20(16-19)18(13-14-22)17-23-21/h11-12,16-17,23H,2-10,13-15,22H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description In vitro affitnity human cloned 5-hydroxytryptamine 1D receptor alpha by [3H]-5-HT displacement.				J Med Chem 39: 314-22 (1996) Article DOI: 10.1021/jm950498t BindingDB Entry DOI: 10.7270/Q2DJ5DRK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50049096 (2-(5-Undecyloxy-1H-indol-3-yl)-ethylamine | CHEMBL...) Show SMILES CCCCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1 Show InChI InChI=1S/C21H34N2O/c1-2-3-4-5-6-7-8-9-10-15-24-19-11-12-21-20(16-19)18(13-14-22)17-23-21/h11-12,16-17,23H,2-10,13-15,22H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	885	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description In vitro affinity at human cloned 5-hydroxytryptamine 1A receptor by [3H]-8-OH-DPAT displacement.				J Med Chem 39: 314-22 (1996) Article DOI: 10.1021/jm950498t BindingDB Entry DOI: 10.7270/Q2DJ5DRK
					More data for this Ligand-Target Pair