Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 468.5 BDBM50474376

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))	BDBM50474376 (CHEMBL144779) Show SMILES COc1cc2nc3CC(CNCCOc4c(OC)cccc4OC)CCc3c(O)c2cc1OC Show InChI InChI=1S/C26H32N2O6/c1-30-21-6-5-7-22(31-2)26(21)34-11-10-27-15-16-8-9-17-19(12-16)28-20-14-24(33-4)23(32-3)13-18(20)25(17)29/h5-7,13-14,16,27H,8-12,15H2,1-4H3,(H,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Binding affinity measured in CHO cells expressing human cloned Alpha-1B adrenergic receptor expressed as pKi				J Med Chem 46: 4895-903 (2003) Article DOI: 10.1021/jm030952q BindingDB Entry DOI: 10.7270/Q2ZK5KDG
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50474376 (CHEMBL144779) Show SMILES COc1cc2nc3CC(CNCCOc4c(OC)cccc4OC)CCc3c(O)c2cc1OC Show InChI InChI=1S/C26H32N2O6/c1-30-21-6-5-7-22(31-2)26(21)34-11-10-27-15-16-8-9-17-19(12-16)28-20-14-24(33-4)23(32-3)13-18(20)25(17)29/h5-7,13-14,16,27H,8-12,15H2,1-4H3,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	389	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Binding affinity measured in CHO cells expressing human cloned Alpha-1D adrenergic receptor expressed as pKi				J Med Chem 46: 4895-903 (2003) Article DOI: 10.1021/jm030952q BindingDB Entry DOI: 10.7270/Q2ZK5KDG
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50474376 (CHEMBL144779) Show SMILES COc1cc2nc3CC(CNCCOc4c(OC)cccc4OC)CCc3c(O)c2cc1OC Show InChI InChI=1S/C26H32N2O6/c1-30-21-6-5-7-22(31-2)26(21)34-11-10-27-15-16-8-9-17-19(12-16)28-20-14-24(33-4)23(32-3)13-18(20)25(17)29/h5-7,13-14,16,27H,8-12,15H2,1-4H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Binding affinity measured in CHO cells expressing human cloned Alpha-1A adrenergic receptor expressed as pKi				J Med Chem 46: 4895-903 (2003) Article DOI: 10.1021/jm030952q BindingDB Entry DOI: 10.7270/Q2ZK5KDG
					More data for this Ligand-Target Pair