BDBM50225337 CHEMBL442268

SMILES: NCC1CCc2cc(O)c(O)cc12

InChI Key: InChIKey=FCMNXOWRHIGEBP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50225337   

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 (Homo sapiens (Human))	BDBM50225337 (CHEMBL442268) Show SMILES NCC1CCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO2/c11-5-7-2-1-6-3-9(12)10(13)4-8(6)7/h3-4,7,12-13H,1-2,5,11H2	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	520	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				J Med Chem 30: 178-84 (1987) BindingDB Entry DOI: 10.7270/Q2891837
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50225337 (CHEMBL442268) Show SMILES NCC1CCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO2/c11-5-7-2-1-6-3-9(12)10(13)4-8(6)7/h3-4,7,12-13H,1-2,5,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	520	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))	BDBM50225337 (CHEMBL442268) Show SMILES NCC1CCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO2/c11-5-7-2-1-6-3-9(12)10(13)4-8(6)7/h3-4,7,12-13H,1-2,5,11H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+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
Adrenergic receptor alpha-1 (Homo sapiens (Human))	BDBM50225337 (CHEMBL442268) Show SMILES NCC1CCc2cc(O)c(O)cc12 Show InChI InChI=1S/C10H13NO2/c11-5-7-2-1-6-3-9(12)10(13)4-8(6)7/h3-4,7,12-13H,1-2,5,11H2	MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.60E+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 towards alpha 1 adrenergic receptor				J Med Chem 30: 178-84 (1987) BindingDB Entry DOI: 10.7270/Q2891837
					More data for this Ligand-Target Pair