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BDBM50471341 CHEMBL103438

SMILES: C(Oc1cccc2C(=CCCc12)c1c[nH]cn1)c1ccccc1

InChI Key: InChIKey=ACDLOGYGJHTESW-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 = 50471341   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50471341
PNG
(CHEMBL103438)
Show SMILES C(Oc1cccc2C(=CCCc12)c1c[nH]cn1)c1ccccc1 |c:7|
Show InChI InChI=1S/C20H18N2O/c1-2-6-15(7-3-1)13-23-20-11-5-8-16-17(9-4-10-18(16)20)19-12-21-14-22-19/h1-3,5-9,11-12,14H,4,10,13H2,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.67E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from Alpha-2 adrenergic receptor of rat brain membranes


J Med Chem 40: 3014-24 (1997)


Article DOI: 10.1021/jm960642q
BindingDB Entry DOI: 10.7270/Q2ZG6VZ9
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50471341
PNG
(CHEMBL103438)
Show SMILES C(Oc1cccc2C(=CCCc12)c1c[nH]cn1)c1ccccc1 |c:7|
Show InChI InChI=1S/C20H18N2O/c1-2-6-15(7-3-1)13-23-20-11-5-8-16-17(9-4-10-18(16)20)19-12-21-14-22-19/h1-3,5-9,11-12,14H,4,10,13H2,(H,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.25E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor of rat brain membranes


J Med Chem 40: 3014-24 (1997)


Article DOI: 10.1021/jm960642q
BindingDB Entry DOI: 10.7270/Q2ZG6VZ9
More data for this
Ligand-Target Pair