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SMILES: COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1

InChI Key: InChIKey=ZMENUTKFAQTYKL-GBXCKJPGSA-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 = 50486328   
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 adrenergic receptor


(Homo sapiens (Human))
BDBM50486328
PNG
(CHEMBL2234441)
Show SMILES COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1 |r|
Show InChI InChI=1S/C25H27NO4/c1-27-22-13-8-14-23(28-2)25(22)29-16-15-26-24-17-20(18-9-4-3-5-10-18)19-11-6-7-12-21(19)30-24/h3-14,20,24,26H,15-17H2,1-2H3/t20-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
0.0500n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to adrenergic alpha1A receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9379-1
BindingDB Entry DOI: 10.7270/Q2NG4THH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50486328
PNG
(CHEMBL2234441)
Show SMILES COc1cccc(OC)c1OCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc2O1 |r|
Show InChI InChI=1S/C25H27NO4/c1-27-22-13-8-14-23(28-2)25(22)29-16-15-26-24-17-20(18-9-4-3-5-10-18)19-11-6-7-12-21(19)30-24/h3-14,20,24,26H,15-17H2,1-2H3/t20-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
0.0501n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to adrenergic alpha1A receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9379-1
BindingDB Entry DOI: 10.7270/Q2NG4THH
More data for this
Ligand-Target Pair