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BDBM50473267 CHEMBL67379

SMILES: Clc1ccccc1N1CCN(CCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1

InChI Key: InChIKey=LCRBRIXRBALAPX-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 = 50473267   
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-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50473267
PNG
(CHEMBL67379)
Show SMILES Clc1ccccc1N1CCN(CCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C25H28Cl2N6O3/c26-19-4-1-2-5-20(19)30-10-7-29(8-11-30)9-16-33-25(35)23(27)21(18-28-33)31-12-14-32(15-13-31)24(34)22-6-3-17-36-22/h1-6,17-18H,7-16H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.90n/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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50473267
PNG
(CHEMBL67379)
Show SMILES Clc1ccccc1N1CCN(CCn2ncc(N3CCN(CC3)C(=O)c3ccco3)c(Cl)c2=O)CC1
Show InChI InChI=1S/C25H28Cl2N6O3/c26-19-4-1-2-5-20(19)30-10-7-29(8-11-30)9-16-33-25(35)23(27)21(18-28-33)31-12-14-32(15-13-31)24(34)22-6-3-17-36-22/h1-6,17-18H,7-16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
150n/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