BDBM50405406 CHEMBL274830

SMILES: CCCNCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1

InChI Key: InChIKey=MOAJWVAXQNJPPR-UHFFFAOYSA-N

Data: 2 Kd

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 2 hits for monomerid = 50405406   

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
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50405406 (CHEMBL274830) Show SMILES CCCNCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1 Show InChI InChI=1S/C19H23N3O2S/c1-2-9-20-11-15(23)13-24-16-7-5-14(6-8-16)19-21-12-17(22-19)18-4-3-10-25-18/h3-8,10,12,15,20,23H,2,9,11,13H2,1H3,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	6.46E+3	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...				J Med Chem 29: 1065-80 (1986) BindingDB Entry DOI: 10.7270/Q2BP0408
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50405406 (CHEMBL274830) Show SMILES CCCNCC(O)COc1ccc(cc1)-c1nc(c[nH]1)-c1cccs1 Show InChI InChI=1S/C19H23N3O2S/c1-2-9-20-11-15(23)13-24-16-7-5-14(6-8-16)19-21-12-17(22-19)18-4-3-10-25-18/h3-8,10,12,15,20,23H,2,9,11,13H2,1H3,(H,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...				J Med Chem 29: 1065-80 (1986) BindingDB Entry DOI: 10.7270/Q2BP0408
					More data for this Ligand-Target Pair