BDBM50405415 CHEMBL442522

SMILES: COc1ccc(CCNCC(O)COc2ccc(cc2)-c2ncc(CN3CCOCC3)[nH]2)cc1OC

InChI Key: InChIKey=JLKZKTWIISMPBF-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 = 50405415   

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)	BDBM50405415 (CHEMBL442522) Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2ncc(CN3CCOCC3)[nH]2)cc1OC Show InChI InChI=1S/C27H36N4O5/c1-33-25-8-3-20(15-26(25)34-2)9-10-28-17-23(32)19-36-24-6-4-21(5-7-24)27-29-16-22(30-27)18-31-11-13-35-14-12-31/h3-8,15-16,23,28,32H,9-14,17-19H2,1-2H3,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	4.37E+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)	BDBM50405415 (CHEMBL442522) Show SMILES COc1ccc(CCNCC(O)COc2ccc(cc2)-c2ncc(CN3CCOCC3)[nH]2)cc1OC Show InChI InChI=1S/C27H36N4O5/c1-33-25-8-3-20(15-26(25)34-2)9-10-28-17-23(32)19-36-24-6-4-21(5-7-24)27-29-16-22(30-27)18-31-11-13-35-14-12-31/h3-8,15-16,23,28,32H,9-14,17-19H2,1-2H3,(H,29,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	19	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