BDBM50225333 CHEMBL31617

SMILES: CN(C)CC1CCCc2c(O)c(O)ccc12

InChI Key: InChIKey=QXIMLJZKBKQQJV-UHFFFAOYSA-N

Data: 2 KI

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 = 50225333   

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 alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225333 (CHEMBL31617) Show SMILES CN(C)CC1CCCc2c(O)c(O)ccc12 Show InChI InChI=1S/C13H19NO2/c1-14(2)8-9-4-3-5-11-10(9)6-7-12(15)13(11)16/h6-7,9,15-16H,3-5,8H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand				J Med Chem 28: 1398-404 (1985) BindingDB Entry DOI: 10.7270/Q2H41TM1
					More data for this Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50225333 (CHEMBL31617) Show SMILES CN(C)CC1CCCc2c(O)c(O)ccc12 Show InChI InChI=1S/C13H19NO2/c1-14(2)8-9-4-3-5-11-10(9)6-7-12(15)13(11)16/h6-7,9,15-16H,3-5,8H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against alpha-1 adrenergic receptor in rat using [3H]prazosin as radioligand				J Med Chem 28: 1398-404 (1985) BindingDB Entry DOI: 10.7270/Q2H41TM1
					More data for this Ligand-Target Pair