Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 269.3 BDBM50222909

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
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50222909 (CHEMBL276733) Show SMILES CCn1cc(cn1)-c1ccccc1NCC1=NCCN1 |t:17| Show InChI InChI=1S/C15H19N5/c1-2-20-11-12(9-19-20)13-5-3-4-6-14(13)18-10-15-16-7-8-17-15/h3-6,9,11,18H,2,7-8,10H2,1H3,(H,16,17)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonism of human alpha-1B adrenergic receptor, expressed in rat 1 fibroblast cells				Bioorg Med Chem Lett 13: 1183-6 (2003) BindingDB Entry DOI: 10.7270/Q21V5G8T
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50222909 (CHEMBL276733) Show SMILES CCn1cc(cn1)-c1ccccc1NCC1=NCCN1 |t:17| Show InChI InChI=1S/C15H19N5/c1-2-20-11-12(9-19-20)13-5-3-4-6-14(13)18-10-15-16-7-8-17-15/h3-6,9,11,18H,2,7-8,10H2,1H3,(H,16,17)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonism of recombinant human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells				Bioorg Med Chem Lett 13: 1183-6 (2003) BindingDB Entry DOI: 10.7270/Q21V5G8T
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50222909 (CHEMBL276733) Show SMILES CCn1cc(cn1)-c1ccccc1NCC1=NCCN1 |t:17| Show InChI InChI=1S/C15H19N5/c1-2-20-11-12(9-19-20)13-5-3-4-6-14(13)18-10-15-16-7-8-17-15/h3-6,9,11,18H,2,7-8,10H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Agonism of human alpha-1A adrenergic receptor expressed in rat 1 fibroblast cells				Bioorg Med Chem Lett 13: 1183-6 (2003) BindingDB Entry DOI: 10.7270/Q21V5G8T
					More data for this Ligand-Target Pair