Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 272.3 BDBM50130450

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 1A (Homo sapiens (Human))	BDBM50130450 (CHEMBL104026 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)cc12 Show InChI InChI=1S/C15H20N4O/c1-10(20)18-15-7-12-13(8-16-14(12)9-17-15)11-3-5-19(2)6-4-11/h7-9,11,16H,3-6H2,1-2H3,(H,17,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1A recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50130450 (CHEMBL104026 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)cc12 Show InChI InChI=1S/C15H20N4O/c1-10(20)18-15-7-12-13(8-16-14(12)9-17-15)11-3-5-19(2)6-4-11/h7-9,11,16H,3-6H2,1-2H3,(H,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity of the compound was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1D recepto...				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1F (Homo sapiens (Human))	BDBM50130450 (CHEMBL104026 | N-[3-(1-Methyl-piperidin-4-yl)-1H-p...) Show SMILES CN1CCC(CC1)c1c[nH]c2cnc(NC(C)=O)cc12 Show InChI InChI=1S/C15H20N4O/c1-10(20)18-15-7-12-13(8-16-14(12)9-17-15)11-3-5-19(2)6-4-11/h7-9,11,16H,3-6H2,1-2H3,(H,17,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity was determined by radioligand binding assay using cell line expressing human 5-hydroxytryptamine 1F receptor				J Med Chem 46: 3060-71 (2003) Article DOI: 10.1021/jm030020m BindingDB Entry DOI: 10.7270/Q21V5DCB
					More data for this Ligand-Target Pair