BDBM50224528 CHEMBL12379

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

InChI Key: InChIKey=UGJOXXRKIYHOPK-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 = 50224528   

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))	BDBM50224528 (CHEMBL12379) Show SMILES COc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C42H64N2O12/c1-30(43-20-34(45)27-54-40-14-8-37(48-5)9-15-40)23-51-25-32(3)53-26-33(4)52-24-31(2)44(21-35(46)28-55-41-16-10-38(49-6)11-17-41)22-36(47)29-56-42-18-12-39(50-7)13-19-42/h8-19,30-36,43,45-47H,20-29H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4	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))	BDBM50224528 (CHEMBL12379) Show SMILES COc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(OC)cc2)CC(O)COc2ccc(OC)cc2)cc1 Show InChI InChI=1S/C42H64N2O12/c1-30(43-20-34(45)27-54-40-14-8-37(48-5)9-15-40)23-51-25-32(3)53-26-33(4)52-24-31(2)44(21-35(46)28-55-41-16-10-38(49-6)11-17-41)22-36(47)29-56-42-18-12-39(50-7)13-19-42/h8-19,30-36,43,45-47H,20-29H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.70	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