BDBM50405413 CHEMBL11112

SMILES: COc1ccc(CCNCC(O)COc2ccc(CCc3ncc(Br)[nH]3)cc2)cc1OC

InChI Key: InChIKey=GICKOTBCFRDBNG-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 = 50405413   

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)	BDBM50405413 (CHEMBL11112) Show SMILES COc1ccc(CCNCC(O)COc2ccc(CCc3ncc(Br)[nH]3)cc2)cc1OC Show InChI InChI=1S/C24H30BrN3O4/c1-30-21-9-5-18(13-22(21)31-2)11-12-26-14-19(29)16-32-20-7-3-17(4-8-20)6-10-24-27-15-23(25)28-24/h3-5,7-9,13,15,19,26,29H,6,10-12,14,16H2,1-2H3,(H,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	2.90	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-1 adrenergic receptor (GUINEA PIG)	BDBM50405413 (CHEMBL11112) Show SMILES COc1ccc(CCNCC(O)COc2ccc(CCc3ncc(Br)[nH]3)cc2)cc1OC Show InChI InChI=1S/C24H30BrN3O4/c1-30-21-9-5-18(13-22(21)31-2)11-12-26-14-19(29)16-32-20-7-3-17(4-8-20)6-10-24-27-15-23(25)28-24/h3-5,7-9,13,15,19,26,29H,6,10-12,14,16H2,1-2H3,(H,27,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	1.15E+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