BDBM50223422 CHEMBL22195

SMILES: CNCC(c1ccc(O)c(O)c1)S(O)(=O)=O

InChI Key: InChIKey=TYYGQMPOZGEFQL-UHFFFAOYSA-N

Data: 2 IC50

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 = 50223422   

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))	BDBM50223422 (CHEMBL22195) Show SMILES CNCC(c1ccc(O)c(O)c1)S(O)(=O)=O Show InChI InChI=1S/C9H13NO5S/c1-10-5-9(16(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9-12H,5H2,1H3,(H,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Beta adrenergic receptor using [3H]dihydroalprenolol radioligand in rat brain homogenate				J Med Chem 24: 1258-60 (1981) BindingDB Entry DOI: 10.7270/Q27W6FDS
					More data for this Ligand-Target Pair
Adrenergic receptor alpha (Rattus norvegicus (rat)-Rattus norvegicus (Rat)-RA...)	BDBM50223422 (CHEMBL22195) Show SMILES CNCC(c1ccc(O)c(O)c1)S(O)(=O)=O Show InChI InChI=1S/C9H13NO5S/c1-10-5-9(16(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9-12H,5H2,1H3,(H,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against Alpha adrenergic receptor using [3H]dihydroergocryptine radioligand in rat brain homogenate				J Med Chem 24: 1258-60 (1981) BindingDB Entry DOI: 10.7270/Q27W6FDS
					More data for this Ligand-Target Pair