BindingDB logo
myBDB logout

BDBM50227286 CHEMBL149452

SMILES: CCOCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1

InChI Key: InChIKey=IKENENNCVAKUBU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50227286   
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))		BDBM50227286
PNG
(CHEMBL149452)
Show SMILES CCOCCOC1CCN(CC1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H28N4O4/c1-4-26-9-10-27-13-5-7-23(8-6-13)19-21-15-12-17(25-3)16(24-2)11-14(15)18(20)22-19/h11-13H,4-10H2,1-3H3,(H2,20,21,22)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity for alpha-1 adrenergic receptor by displacement of [3H]-prazosin from rat brain homogenate preparation

J Med Chem 31: 516-20 (1988)


BindingDB Entry DOI: 10.7270/Q2ZP48BH
More data for this
Ligand-Target Pair