Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 321.3 BDBM50474639

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-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50474639 (CHEMBL442394) Show SMILES COc1ccc(NS(C)(=O)=O)c2CCCC(c3c[nH]cn3)c12 Show InChI InChI=1S/C15H19N3O3S/c1-21-14-7-6-12(18-22(2,19)20)10-4-3-5-11(15(10)14)13-8-16-9-17-13/h6-9,11,18H,3-5H2,1-2H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt 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
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1A adrenergic receptor of rat submaxillary gland in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (HAMSTER)	BDBM50474639 (CHEMBL442394) Show SMILES COc1ccc(NS(C)(=O)=O)c2CCCC(c3c[nH]cn3)c12 Show InChI InChI=1S/C15H19N3O3S/c1-21-14-7-6-12(18-22(2,19)20)10-4-3-5-11(15(10)14)13-8-16-9-17-13/h6-9,11,18H,3-5H2,1-2H3,(H,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1B adrenergic receptor of hamster clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair
Alpha-1D adrenergic receptor (Rattus norvegicus (Rat))	BDBM50474639 (CHEMBL442394) Show SMILES COc1ccc(NS(C)(=O)=O)c2CCCC(c3c[nH]cn3)c12 Show InChI InChI=1S/C15H19N3O3S/c1-21-14-7-6-12(18-22(2,19)20)10-4-3-5-11(15(10)14)13-8-16-9-17-13/h6-9,11,18H,3-5H2,1-2H3,(H,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity towards alpha-1D adrenergic receptor of rat clone in radioligand binding assay				J Med Chem 47: 3220-35 (2004) Article DOI: 10.1021/jm030551a BindingDB Entry DOI: 10.7270/Q2HD7ZD1
					More data for this Ligand-Target Pair