Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 348.4 BDBM50099436

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

Found 4 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-1A adrenergic receptor (Homo sapiens (Human))	BDBM50099436 (CHEMBL3341769) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 Show InChI InChI=1S/C19H28N2O4/c1-22-18-5-3-2-4-17(18)21-10-8-20(9-11-21)14-16-15-24-19(25-16)6-12-23-13-7-19/h2-5,16H,6-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50099436 (CHEMBL3341769) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 Show InChI InChI=1S/C19H28N2O4/c1-22-18-5-3-2-4-17(18)21-10-8-20(9-11-21)14-16-15-24-19(25-16)6-12-23-13-7-19/h2-5,16H,6-15H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50099436 (CHEMBL3341769) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 Show InChI InChI=1S/C19H28N2O4/c1-22-18-5-3-2-4-17(18)21-10-8-20(9-11-21)14-16-15-24-19(25-16)6-12-23-13-7-19/h2-5,16H,6-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50099436 (CHEMBL3341769) Show SMILES COc1ccccc1N1CCN(CC2COC3(CCOCC3)O2)CC1 Show InChI InChI=1S/C19H28N2O4/c1-22-18-5-3-2-4-17(18)21-10-8-20(9-11-21)14-16-15-24-19(25-16)6-12-23-13-7-19/h2-5,16H,6-15H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	324	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Modena e Reggio Emilia Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting				Eur J Med Chem 87: 248-66 (2014) Article DOI: 10.1016/j.ejmech.2014.09.070 BindingDB Entry DOI: 10.7270/Q20G3MX4
					More data for this Ligand-Target Pair