Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 457.9 BDBM50475535

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50475535 (CHEMBL200839) Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl Show InChI InChI=1S/C25H28ClNO5/c1-28-23-12-7-13-24(29-2)25(23)31-17-15-27-14-16-30-21-10-5-6-11-22(21)32-18-19-8-3-4-9-20(19)26/h3-13,27H,14-18H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells				J Med Chem 48: 7750-63 (2005) Article DOI: 10.1021/jm0580398 BindingDB Entry DOI: 10.7270/Q22V2JVF
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50475535 (CHEMBL200839) Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl Show InChI InChI=1S/C25H28ClNO5/c1-28-23-12-7-13-24(29-2)25(23)31-17-15-27-14-16-30-21-10-5-6-11-22(21)32-18-19-8-3-4-9-20(19)26/h3-13,27H,14-18H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from cloned human ADRA1B expressed in CHO cells				J Med Chem 48: 7750-63 (2005) Article DOI: 10.1021/jm0580398 BindingDB Entry DOI: 10.7270/Q22V2JVF
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50475535 (CHEMBL200839) Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl Show InChI InChI=1S/C25H28ClNO5/c1-28-23-12-7-13-24(29-2)25(23)31-17-15-27-14-16-30-21-10-5-6-11-22(21)32-18-19-8-3-4-9-20(19)26/h3-13,27H,14-18H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from cloned human ADRA1A expressed in CHO cells				J Med Chem 48: 7750-63 (2005) Article DOI: 10.1021/jm0580398 BindingDB Entry DOI: 10.7270/Q22V2JVF
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50475535 (CHEMBL200839) Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1Cl Show InChI InChI=1S/C25H28ClNO5/c1-28-23-12-7-13-24(29-2)25(23)31-17-15-27-14-16-30-21-10-5-6-11-22(21)32-18-19-8-3-4-9-20(19)26/h3-13,27H,14-18H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Camerino Curated by ChEMBL					Assay Description Displacement of [3H]8-hydroxy-2-(di-n-propylamino)tetralin from cloned human 5HT1A receptor expressed in HeLa cells				J Med Chem 48: 7750-63 (2005) Article DOI: 10.1021/jm0580398 BindingDB Entry DOI: 10.7270/Q22V2JVF
					More data for this Ligand-Target Pair