BindingDB logo
myBDB logout

BDBM50016883 1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-5-ol::CHEMBL161947

SMILES: CCCN1CCC[C@H]2[C@H]1COc1cccc(O)c21

InChI Key: InChIKey=UKQPRJSOSVDGII-NWDGAFQWSA-N

Data: 3 IC50

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 = 50016883   
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
adrenergic Alpha2


(BOVINE)
BDBM50016883
PNG
(1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...)
Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cccc(O)c21
Show InChI InChI=1S/C15H21NO2/c1-2-8-16-9-4-5-11-12(16)10-18-14-7-3-6-13(17)15(11)14/h3,6-7,11-12,17H,2,4-5,8-10H2,1H3/t11-,12+/m0/s1
PDB

KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 362n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration necessary to achieve half maximal inhibition of [3H]-clonidine binding to alpha-2 adrenergic receptor at 1 uM


J Med Chem 32: 720-7 (1989)


BindingDB Entry DOI: 10.7270/Q2639NQ6
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50016883
PNG
(1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...)
Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cccc(O)c21
Show InChI InChI=1S/C15H21NO2/c1-2-8-16-9-4-5-11-12(16)10-18-14-7-3-6-13(17)15(11)14/h3,6-7,11-12,17H,2,4-5,8-10H2,1H3/t11-,12+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 384n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration necessary to achieve half maximal inhibition of [3H]ketanserin binding to 5-hydroxytryptamine 2 receptor at 1 uM


J Med Chem 32: 720-7 (1989)


BindingDB Entry DOI: 10.7270/Q2639NQ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50016883
PNG
(1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...)
Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cccc(O)c21
Show InChI InChI=1S/C15H21NO2/c1-2-8-16-9-4-5-11-12(16)10-18-14-7-3-6-13(17)15(11)14/h3,6-7,11-12,17H,2,4-5,8-10H2,1H3/t11-,12+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration necessary to achieve half maximal inhibition of [3H]-8-Hydroxy-2-(di-n-propylamino)tetralin binding to 5-hydroxytryptamine 1A receptor ...


J Med Chem 32: 720-7 (1989)


BindingDB Entry DOI: 10.7270/Q2639NQ6
More data for this
Ligand-Target Pair