BDBM50224492 CHEMBL12068

SMILES: COCCc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1

InChI Key: InChIKey=CSBSJLJQJOXCKH-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 = 50224492   

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))	BDBM50224492 (CHEMBL12068) Show SMILES COCCc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1 Show InChI InChI=1S/C48H76N2O12/c1-36(49-26-43(51)33-60-46-14-8-40(9-15-46)20-23-54-5)29-57-31-38(3)59-32-39(4)58-30-37(2)50(27-44(52)34-61-47-16-10-41(11-17-47)21-24-55-6)28-45(53)35-62-48-18-12-42(13-19-48)22-25-56-7/h8-19,36-39,43-45,49,51-53H,20-35H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	2.60	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))	BDBM50224492 (CHEMBL12068) Show SMILES COCCc1ccc(OCC(O)CNC(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1 Show InChI InChI=1S/C48H76N2O12/c1-36(49-26-43(51)33-60-46-14-8-40(9-15-46)20-23-54-5)29-57-31-38(3)59-32-39(4)58-30-37(2)50(27-44(52)34-61-47-16-10-41(11-17-47)21-24-55-6)28-45(53)35-62-48-18-12-42(13-19-48)22-25-56-7/h8-19,36-39,43-45,49,51-53H,20-35H2,1-7H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	3.5	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