BindingDB logo
myBDB logout

1 similar compounds to monomer 50079652

Compile data set for download or QSAR
Wt: 375.4
BDBM50287703

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50287703   
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
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50287703
PNG
((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.13E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]NECA specific binding against Adenosine A2 receptors of rat striatal membranes


Bioorg Med Chem Lett 6: 2059-2062 (1996)


Article DOI: 10.1016/0960-894X(96)00368-X
BindingDB Entry DOI: 10.7270/Q25Q4W31
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50287703
PNG
((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 17n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-CHA binding against Adenosine A1 receptors of rat cortical membranes


Bioorg Med Chem Lett 6: 2059-2062 (1996)


Article DOI: 10.1016/0960-894X(96)00368-X
BindingDB Entry DOI: 10.7270/Q25Q4W31
More data for this
Ligand-Target Pair
Adenosine A1 receptor


(GUINEA PIG)
BDBM50287703
PNG
((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.560n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of adenosine induced negative inotropic activity against guinea-pig atria (Adenosine A1 receptor)


Bioorg Med Chem Lett 6: 2059-2062 (1996)


Article DOI: 10.1016/0960-894X(96)00368-X
BindingDB Entry DOI: 10.7270/Q25Q4W31
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50287703
PNG
((E)-1-[(S)-2-(2-Hydroxy-ethyl)-piperidin-1-yl]-3-(...)
Show SMILES OCC[C@@H]1CCCCN1C(=O)\C=C\c1c(nn2ccccc12)-c1ccccc1
Show InChI InChI=1S/C23H25N3O2/c27-17-14-19-10-4-6-15-25(19)22(28)13-12-20-21-11-5-7-16-26(21)24-23(20)18-8-2-1-3-9-18/h1-3,5,7-9,11-13,16,19,27H,4,6,10,14-15,17H2/b13-12+/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.18E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of adenosine induced relaxation against guinea-pig aorta (Adenosine A2 receptor).


Bioorg Med Chem Lett 6: 2059-2062 (1996)


Article DOI: 10.1016/0960-894X(96)00368-X
BindingDB Entry DOI: 10.7270/Q25Q4W31
More data for this
Ligand-Target Pair