Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 303.4 BDBM50403515

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

Found 2 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 1A (Homo sapiens (Human))	BDBM50403515 (CHEMBL89427) Show SMILES C(CNCC1CCc2ccccc2O1)CNc1nccs1 Show InChI InChI=1S/C16H21N3OS/c1-2-5-15-13(4-1)6-7-14(20-15)12-17-8-3-9-18-16-19-10-11-21-16/h1-2,4-5,10-11,14,17H,3,6-9,12H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells				Bioorg Med Chem Lett 5: 2649-2654 (1995) Article DOI: 10.1016/0960-894X(95)00473-7 BindingDB Entry DOI: 10.7270/Q20Z74GV
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50403515 (CHEMBL89427) Show SMILES C(CNCC1CCc2ccccc2O1)CNc1nccs1 Show InChI InChI=1S/C16H21N3OS/c1-2-5-15-13(4-1)6-7-14(20-15)12-17-8-3-9-18-16-19-10-11-21-16/h1-2,4-5,10-11,14,17H,3,6-9,12H2,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra				Bioorg Med Chem Lett 5: 2649-2654 (1995) Article DOI: 10.1016/0960-894X(95)00473-7 BindingDB Entry DOI: 10.7270/Q20Z74GV
					More data for this Ligand-Target Pair