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BDBM50220588 6-(1-hydroxy-2-(4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl)propyl)-3,4-dihydroquinolin-2(1H)-one::CHEMBL246818

SMILES: COc1cccc(c1)C1(O)CCN(CC1)C(C)C(O)c1ccc2NC(=O)CCc2c1

InChI Key: InChIKey=XOZYJPDXACCQDE-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50220588   
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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50220588
PNG
(6-(1-hydroxy-2-(4-hydroxy-4-(3-methoxyphenyl)piper...)
Show SMILES COc1cccc(c1)C1(O)CCN(CC1)C(C)C(O)c1ccc2NC(=O)CCc2c1 |w:17.19,15.17|
Show InChI InChI=1S/C24H30N2O4/c1-16(23(28)18-6-8-21-17(14-18)7-9-22(27)25-21)26-12-10-24(29,11-13-26)19-4-3-5-20(15-19)30-2/h3-6,8,14-16,23,28-29H,7,9-13H2,1-2H3,(H,25,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.30n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]racemic CP101606 from rat NR2B receptor in P2 membrane


Bioorg Med Chem Lett 17: 5558-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.014
BindingDB Entry DOI: 10.7270/Q2R21138
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50220588
PNG
(6-(1-hydroxy-2-(4-hydroxy-4-(3-methoxyphenyl)piper...)
Show SMILES COc1cccc(c1)C1(O)CCN(CC1)C(C)C(O)c1ccc2NC(=O)CCc2c1 |w:17.19,15.17|
Show InChI InChI=1S/C24H30N2O4/c1-16(23(28)18-6-8-21-17(14-18)7-9-22(27)25-21)26-12-10-24(29,11-13-26)19-4-3-5-20(15-19)30-2/h3-6,8,14-16,23,28-29H,7,9-13H2,1-2H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]bufuralol from hERG channel expressed in HEK293 cells


Bioorg Med Chem Lett 17: 5558-62 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.014
BindingDB Entry DOI: 10.7270/Q2R21138
More data for this
Ligand-Target Pair