BindingDB logo
myBDB logout

null

SMILES: COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCCN2CCN(CC2)c2ccccc2Cl)n1

InChI Key: InChIKey=LSRWHOCLZIQMCF-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 = 50473245   
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))
BDBM50473245
PNG
(CHEMBL68052)
Show SMILES COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCCN2CCN(CC2)c2ccccc2Cl)n1
Show InChI InChI=1S/C31H41ClN6O3/c1-40-28-10-4-5-11-29(28)41-25-24-35-18-22-37(23-19-35)30-12-13-31(39)38(33-30)15-7-6-14-34-16-20-36(21-17-34)27-9-3-2-8-26(27)32/h2-5,8-13H,6-7,14-25H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.800n/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))
BDBM50473245
PNG
(CHEMBL68052)
Show SMILES COc1ccccc1OCCN1CCN(CC1)c1ccc(=O)n(CCCCN2CCN(CC2)c2ccccc2Cl)n1
Show InChI InChI=1S/C31H41ClN6O3/c1-40-28-10-4-5-11-29(28)41-25-24-35-18-22-37(23-19-35)30-12-13-31(39)38(33-30)15-7-6-14-34-16-20-36(21-17-34)27-9-3-2-8-26(27)32/h2-5,8-13H,6-7,14-25H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
69n/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