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BDBM50220713 CHEMBL237323::N-((1r,4r)-4-(4-hydroxy-2-methylphenyl)cyclohexyl)-3-phenylpropanamide

SMILES: Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1

InChI Key: InChIKey=WHIWOTLPHYDESG-WGSAOQKQSA-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 = 50220713   
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))
BDBM50220713
PNG
(CHEMBL237323 | N-((1r,4r)-4-(4-hydroxy-2-methylphe...)
Show SMILES Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:8.8,wD:11.15,(-7.33,-40.77,;-7.32,-42.31,;-8.64,-43.08,;-8.65,-44.63,;-9.97,-45.4,;-7.3,-45.4,;-5.97,-44.62,;-5.99,-43.08,;-4.65,-42.31,;-4.65,-40.77,;-3.32,-39.98,;-1.98,-40.77,;-1.98,-42.31,;-3.32,-43.08,;-.65,-40,;.69,-40.77,;.69,-42.32,;2.03,-40.01,;3.35,-40.79,;4.69,-40.03,;6.01,-40.81,;7.36,-40.05,;7.36,-38.51,;6.04,-37.73,;4.71,-38.49,)|
Show InChI InChI=1S/C22H27NO2/c1-16-15-20(24)12-13-21(16)18-8-10-19(11-9-18)23-22(25)14-7-17-5-3-2-4-6-17/h2-6,12-13,15,18-19,24H,7-11,14H2,1H3,(H,23,25)/t18-,19-
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 722n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]CP101,606 from NR2B in rat forebrain P2 membrane


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50220713
PNG
(CHEMBL237323 | N-((1r,4r)-4-(4-hydroxy-2-methylphe...)
Show SMILES Cc1cc(O)ccc1[C@H]1CC[C@@H](CC1)NC(=O)CCc1ccccc1 |wU:8.8,wD:11.15,(-7.33,-40.77,;-7.32,-42.31,;-8.64,-43.08,;-8.65,-44.63,;-9.97,-45.4,;-7.3,-45.4,;-5.97,-44.62,;-5.99,-43.08,;-4.65,-42.31,;-4.65,-40.77,;-3.32,-39.98,;-1.98,-40.77,;-1.98,-42.31,;-3.32,-43.08,;-.65,-40,;.69,-40.77,;.69,-42.32,;2.03,-40.01,;3.35,-40.79,;4.69,-40.03,;6.01,-40.81,;7.36,-40.05,;7.36,-38.51,;6.04,-37.73,;4.71,-38.49,)|
Show InChI InChI=1S/C22H27NO2/c1-16-15-20(24)12-13-21(16)18-8-10-19(11-9-18)23-22(25)14-7-17-5-3-2-4-6-17/h2-6,12-13,15,18-19,24H,7-11,14H2,1H3,(H,23,25)/t18-,19-
PDB
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UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human HERG expressed in HEK293 cells


Bioorg Med Chem Lett 17: 5533-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.039
BindingDB Entry DOI: 10.7270/Q23778FR
More data for this
Ligand-Target Pair