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SMILES: COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCCCCN2CCN(CC2)c2ccccc2Cl)n1

InChI Key: InChIKey=UHUOEEIBKSZATP-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 = 50473297   
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))
BDBM50473297
PNG
(CHEMBL306440)
Show SMILES COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCCCCN2CCN(CC2)c2ccccc2Cl)n1
Show InChI InChI=1S/C33H45ClN6O3/c1-42-30-12-6-7-13-31(30)43-27-26-37-20-24-39(25-21-37)32-14-15-33(41)40(35-32)17-9-3-2-8-16-36-18-22-38(23-19-36)29-11-5-4-10-28(29)34/h4-7,10-15H,2-3,8-9,16-27H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.40n/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))
BDBM50473297
PNG
(CHEMBL306440)
Show SMILES COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCCCCN2CCN(CC2)c2ccccc2Cl)n1
Show InChI InChI=1S/C33H45ClN6O3/c1-42-30-12-6-7-13-31(30)43-27-26-37-20-24-39(25-21-37)32-14-15-33(41)40(35-32)17-9-3-2-8-16-36-18-22-38(23-19-36)29-11-5-4-10-28(29)34/h4-7,10-15H,2-3,8-9,16-27H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
139n/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