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SMILES: COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCN2CCN(CC2)c2ccccc2OC)n1

InChI Key: InChIKey=CVYYPYNUBRBMSQ-UHFFFAOYSA-N

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 = 50473257   
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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50473257
PNG
(CHEMBL67882)
Show SMILES COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCN2CCN(CC2)c2ccccc2OC)n1
Show InChI InChI=1S/C31H42N6O4/c1-39-27-9-4-3-8-26(27)35-20-16-33(17-21-35)14-7-15-37-31(38)13-12-30(32-37)36-22-18-34(19-23-36)24-25-41-29-11-6-5-10-28(29)40-2/h3-6,8-13H,7,14-25H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.30n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-1 adrenergic receptor in rat cortex membrane using [3H]-prazosin radioligand


J Med Chem 44: 2118-32 (2001)


Article DOI: 10.1021/jm010821u
BindingDB Entry DOI: 10.7270/Q2W3802N
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473257
PNG
(CHEMBL67882)
Show SMILES COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCN2CCN(CC2)c2ccccc2OC)n1
Show InChI InChI=1S/C31H42N6O4/c1-39-27-9-4-3-8-26(27)35-20-16-33(17-21-35)14-7-15-37-31(38)13-12-30(32-37)36-22-18-34(19-23-36)24-25-41-29-11-6-5-10-28(29)40-2/h3-6,8-13H,7,14-25H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
254n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat cortex membrane using [3H]rauwolscine radioligand


J Med Chem 44: 2118-32 (2001)


Article DOI: 10.1021/jm010821u
BindingDB Entry DOI: 10.7270/Q2W3802N
More data for this
Ligand-Target Pair