BindingDB logo
myBDB logout

BDBM50219136 CHEMBL99559

SMILES: CCCCOC(=O)c1ccccc1NCC1=NCCN1

InChI Key: InChIKey=PGTTUJMHQDYCRX-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50219136   
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 adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50219136
PNG
(CHEMBL99559)
Show SMILES CCCCOC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-2-3-10-20-15(19)12-6-4-5-7-13(12)18-11-14-16-8-9-17-14/h4-7,18H,2-3,8-11H2,1H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219136
PNG
(CHEMBL99559)
Show SMILES CCCCOC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-2-3-10-20-15(19)12-6-4-5-7-13(12)18-11-14-16-8-9-17-14/h4-7,18H,2-3,8-11H2,1H3,(H,16,17)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50219136
PNG
(CHEMBL99559)
Show SMILES CCCCOC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C15H21N3O2/c1-2-3-10-20-15(19)12-6-4-5-7-13(12)18-11-14-16-8-9-17-14/h4-7,18H,2-3,8-11H2,1H3,(H,16,17)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair