BDBM50418762 CHEMBL1796043

SMILES: COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1

InChI Key: InChIKey=NPGBHHBYDAPGFD-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50418762   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50418762 (CHEMBL1796043) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C26H32N4O5/c1-35-24-7-3-2-6-23(24)28-16-14-27(15-17-28)12-4-5-13-29-25(31)18-21(19-26(29)32)20-8-10-22(11-9-20)30(33)34/h2-3,6-11,21H,4-5,12-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Homo sapiens (Human))	BDBM50418762 (CHEMBL1796043) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C26H32N4O5/c1-35-24-7-3-2-6-23(24)28-16-14-27(15-17-28)12-4-5-13-29-25(31)18-21(19-26(29)32)20-8-10-22(11-9-20)30(33)34/h2-3,6-11,21H,4-5,12-19H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	53.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50418762 (CHEMBL1796043) Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)CC(CC2=O)c2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C26H32N4O5/c1-35-24-7-3-2-6-23(24)28-16-14-27(15-17-28)12-4-5-13-29-25(31)18-21(19-26(29)32)20-8-10-22(11-9-20)30(33)34/h2-3,6-11,21H,4-5,12-19H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Catania Curated by ChEMBL					Assay Description Displacement of [125I]BE-2254 from human adrenergic Alpha-1B receptor expressed in HEK293 cells				Eur J Med Chem 46: 2676-90 (2011) Article DOI: 10.1016/j.ejmech.2011.03.054 BindingDB Entry DOI: 10.7270/Q25140G9
					More data for this Ligand-Target Pair