Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 189.2 BDBM50151706

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 1D (Homo sapiens (Human))	BDBM50151706 ((2,6-Dimethyl-phenyl)-imidazolidin-2-ylidene-amine...) Show SMILES [#6]-c1cccc(-[#6])c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C11H15N3/c1-8-4-3-5-9(2)10(8)14-11-12-6-7-13-11/h3-5H,6-7H2,1-2H3,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.08E+3	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 towards human 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 14: 4697-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.085 BindingDB Entry DOI: 10.7270/Q2FJ2G7V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1B (Homo sapiens (Human))	BDBM50151706 ((2,6-Dimethyl-phenyl)-imidazolidin-2-ylidene-amine...) Show SMILES [#6]-c1cccc(-[#6])c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1 Show InChI InChI=1S/C11H15N3/c1-8-4-3-5-9(2)10(8)14-11-12-6-7-13-11/h3-5H,6-7H2,1-2H3,(H2,12,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>3.00E+4	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 towards human 5-hydroxytryptamine 1B receptor				Bioorg Med Chem Lett 14: 4697-9 (2004) Article DOI: 10.1016/j.bmcl.2004.06.085 BindingDB Entry DOI: 10.7270/Q2FJ2G7V
					More data for this Ligand-Target Pair