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SMILES: COc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCN2CCN(CC2)c2ccccc2Cl)c(=O)c1Cl

InChI Key: InChIKey=CBYOVXGNAZQSRG-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 = 50473255   
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))
BDBM50473255
PNG
(CHEMBL303894)
Show SMILES COc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCN2CCN(CC2)c2ccccc2Cl)c(=O)c1Cl
Show InChI InChI=1S/C32H42Cl2N6O3/c1-42-29-11-5-6-12-30(29)43-24-23-37-17-21-39(22-18-37)28-25-35-40(32(41)31(28)34)14-8-2-7-13-36-15-19-38(20-16-36)27-10-4-3-9-26(27)33/h3-6,9-12,25H,2,7-8,13-24H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.5n/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))
BDBM50473255
PNG
(CHEMBL303894)
Show SMILES COc1ccccc1OCCN1CCN(CC1)c1cnn(CCCCCN2CCN(CC2)c2ccccc2Cl)c(=O)c1Cl
Show InChI InChI=1S/C32H42Cl2N6O3/c1-42-29-11-5-6-12-30(29)43-24-23-37-17-21-39(22-18-37)28-25-35-40(32(41)31(28)34)14-8-2-7-13-36-15-19-38(20-16-36)27-10-4-3-9-26(27)33/h3-6,9-12,25H,2,7-8,13-24H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
29n/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