null

SMILES: COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1

InChI Key: InChIKey=NTYDVUXIVLYUEG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50023190   

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-1D adrenergic receptor (Homo sapiens (Human))	BDBM50023190 (CHEMBL3298017) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1 Show InChI InChI=1S/C36H40N6O5S/c1-47-29-11-6-5-10-28(29)41-21-18-40(19-22-41)20-23-42-35(45)34-33(39-36(42)46)27-24-26(14-15-30(27)48-34)38-32(44)13-7-12-31(43)37-17-16-25-8-3-2-4-9-25/h2-6,8-11,14-15,24H,7,12-13,16-23H2,1H3,(H,37,43)(H,38,44)(H,39,46)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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]BE2254 from human alpha1d receptor expressed in HEK293 cells				Eur J Med Chem 83: 419-32 (2014) Article DOI: 10.1016/j.ejmech.2014.06.057 BindingDB Entry DOI: 10.7270/Q2639RBH
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50023190 (CHEMBL3298017) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1 Show InChI InChI=1S/C36H40N6O5S/c1-47-29-11-6-5-10-28(29)41-21-18-40(19-22-41)20-23-42-35(45)34-33(39-36(42)46)27-24-26(14-15-30(27)48-34)38-32(44)13-7-12-31(43)37-17-16-25-8-3-2-4-9-25/h2-6,8-11,14-15,24H,7,12-13,16-23H2,1H3,(H,37,43)(H,38,44)(H,39,46)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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]BE2254 from human alpha1a receptor expressed in HEK293 cells				Eur J Med Chem 83: 419-32 (2014) Article DOI: 10.1016/j.ejmech.2014.06.057 BindingDB Entry DOI: 10.7270/Q2639RBH
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50023190 (CHEMBL3298017) Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCCc5ccccc5)ccc4sc3c2=O)CC1 Show InChI InChI=1S/C36H40N6O5S/c1-47-29-11-6-5-10-28(29)41-21-18-40(19-22-41)20-23-42-35(45)34-33(39-36(42)46)27-24-26(14-15-30(27)48-34)38-32(44)13-7-12-31(43)37-17-16-25-8-3-2-4-9-25/h2-6,8-11,14-15,24H,7,12-13,16-23H2,1H3,(H,37,43)(H,38,44)(H,39,46)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	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]BE2254 from human alpha1b receptor expressed in HEK293 cells				Eur J Med Chem 83: 419-32 (2014) Article DOI: 10.1016/j.ejmech.2014.06.057 BindingDB Entry DOI: 10.7270/Q2639RBH
					More data for this Ligand-Target Pair