BDBM50224533 CHEMBL12555

SMILES: COc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1

InChI Key: InChIKey=GDLRZMYTYIJHPZ-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 = 50224533   

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))	BDBM50224533 (CHEMBL12555) Show SMILES COc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1 Show InChI InChI=1S/C31H58N2O9/c1-22(32)14-36-16-24(3)38-18-26(5)40-20-28(7)41-19-27(6)39-17-25(4)37-15-23(2)33-13-29(34)21-42-31-11-9-30(35-8)10-12-31/h9-12,22-29,33-34H,13-21,32H2,1-8H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	0.00285	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))	BDBM50224533 (CHEMBL12555) Show SMILES COc1ccc(OCC(O)CNC(C)COC(C)COC(C)COC(C)COC(C)COC(C)COCC(C)N)cc1 Show InChI InChI=1S/C31H58N2O9/c1-22(32)14-36-16-24(3)38-18-26(5)40-20-28(7)41-19-27(6)39-17-25(4)37-15-23(2)33-13-29(34)21-42-31-11-9-30(35-8)10-12-31/h9-12,22-29,33-34H,13-21,32H2,1-8H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	4.10	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