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BDBM50138482 (1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-3-pyridin-2-yl-8-aza-bicyclo[3.2.1]octan-3-ol::CHEMBL357985

SMILES: CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12

InChI Key: InChIKey=CXSICTNGOWISDM-DDOIHHOZSA-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 = 50138482   
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 (5-HT1A)


(Homo sapiens (Human))
BDBM50138482
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:11:12:18.20.17:15.14|
Show InChI InChI=1S/C23H28N2O4/c1-2-27-19-6-5-7-20-22(19)29-18(15-28-20)14-25-16-9-10-17(25)13-23(26,12-16)21-8-3-4-11-24-21/h3-8,11,16-18,26H,2,9-10,12-15H2,1H3/t16-,17+,18-,23+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
62n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50138482
PNG
((1R,3R,5S)-8-((S)-8-Ethoxy-2,3-dihydro-benzo[1,4]d...)
Show SMILES CCOc1cccc2OC[C@H](CN3[C@H]4CC[C@@H]3C[C@](O)(C4)c3ccccn3)Oc12 |THB:11:12:18.20.17:15.14|
Show InChI InChI=1S/C23H28N2O4/c1-2-27-19-6-5-7-20-22(19)29-18(15-28-20)14-25-16-9-10-17(25)13-23(26,12-16)21-8-3-4-11-24-21/h3-8,11,16-18,26H,2,9-10,12-15H2,1H3/t16-,17+,18-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
147n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL




Bioorg Med Chem Lett 14: 515-8 (2003)


BindingDB Entry DOI: 10.7270/Q247499J
More data for this
Ligand-Target Pair