BDBM50405404 CHEMBL269219

SMILES: CC(C)NCC(O)COc1ccc(cc1)-c1ncc[nH]1

InChI Key: InChIKey=XJBQTMUIVGJIHL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50405404   

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-1 adrenergic receptor (GUINEA PIG)	BDBM50405404 (CHEMBL269219) Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C15H21N3O2/c1-11(2)18-9-13(19)10-20-14-5-3-12(4-6-14)15-16-7-8-17-15/h3-8,11,13,18-19H,9-10H2,1-2H3,(H,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	23	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
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50405404 (CHEMBL269219) Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C15H21N3O2/c1-11(2)18-9-13(19)10-20-14-5-3-12(4-6-14)15-16-7-8-17-15/h3-8,11,13,18-19H,9-10H2,1-2H3,(H,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	5.50E+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)	BDBM50405404 (CHEMBL269219) Show SMILES CC(C)NCC(O)COc1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C15H21N3O2/c1-11(2)18-9-13(19)10-20-14-5-3-12(4-6-14)15-16-7-8-17-15/h3-8,11,13,18-19H,9-10H2,1-2H3,(H,16,17)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Activity at beta-1 adrenergic receptor				J Med Chem 35: 4676-82 (1993) BindingDB Entry DOI: 10.7270/Q2KS6SRG
					More data for this Ligand-Target Pair