BDBM50224531 CHEMBL12630

SMILES: COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1

InChI Key: InChIKey=DEURWDQGVAEUJR-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 = 50224531   

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
Adrenergic receptor beta (Rattus norvegicus (Rat))	BDBM50224531 (CHEMBL12630) Show SMILES COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C52H76N2O15/c1-37(53(25-41(55)33-66-49-17-9-45(59-5)10-18-49)26-42(56)34-67-50-19-11-46(60-6)12-20-50)29-63-31-39(3)65-32-40(4)64-30-38(2)54(27-43(57)35-68-51-21-13-47(61-7)14-22-51)28-44(58)36-69-52-23-15-48(62-8)16-24-52/h9-24,37-44,55-58H,25-36H2,1-8H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards rat beta adrenergic receptor from heart membranes.				J Med Chem 26: 7-11 (1983) BindingDB Entry DOI: 10.7270/Q20867H8
					More data for this Ligand-Target Pair
Adrenergic receptor beta (Rattus norvegicus (Rat))	BDBM50224531 (CHEMBL12630) Show SMILES COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C52H76N2O15/c1-37(53(25-41(55)33-66-49-17-9-45(59-5)10-18-49)26-42(56)34-67-50-19-11-46(60-6)12-20-50)29-63-31-39(3)65-32-40(4)64-30-38(2)54(27-43(57)35-68-51-21-13-47(61-7)14-22-51)28-44(58)36-69-52-23-15-48(62-8)16-24-52/h9-24,37-44,55-58H,25-36H2,1-8H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards rat beta adrenergic receptor from lung membranes.				J Med Chem 26: 7-11 (1983) BindingDB Entry DOI: 10.7270/Q20867H8
					More data for this Ligand-Target Pair