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SMILES: COc1ccc2C[C@H]([C@H](O)c2c1)N1CCN(CC1)c1cccc2OCCOc12

InChI Key: InChIKey=NGAGLDAKVNKYJX-TZIWHRDSSA-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 = 50473603   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50473603
PNG
(CHEMBL298096)
Show SMILES COc1ccc2C[C@H]([C@H](O)c2c1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H26N2O4/c1-26-16-6-5-15-13-19(21(25)17(15)14-16)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20/h2-6,14,19,21,25H,7-13H2,1H3/t19-,21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.447n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity at human 5-hydroxytryptamine 1A receptor by inhibition of [3H]8-OH-DPAT binding in Chinese hamster ovary cell line


J Med Chem 45: 165-76 (2002)


Article DOI: 10.1021/jm010975+
BindingDB Entry DOI: 10.7270/Q25D8VK9
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50473603
PNG
(CHEMBL298096)
Show SMILES COc1ccc2C[C@H]([C@H](O)c2c1)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C22H26N2O4/c1-26-16-6-5-15-13-19(21(25)17(15)14-16)24-9-7-23(8-10-24)18-3-2-4-20-22(18)28-12-11-27-20/h2-6,14,19,21,25H,7-13H2,1H3/t19-,21-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
269n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Binding affinity at Alpha-1 adrenergic receptor by inhibition of [3H]-prazosin binding to rat cortex


J Med Chem 45: 165-76 (2002)


Article DOI: 10.1021/jm010975+
BindingDB Entry DOI: 10.7270/Q25D8VK9
More data for this
Ligand-Target Pair