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BDBM50150684 (R)-8-(2,6-dimethoxyphenyl)-N,N-dimethylchroman-3-amine::CHEMBL183329::[(R)-8-(2,6-Dimethoxy-phenyl)-chroman-3-yl]-dimethyl-amine::[(S)-5-(2,6-Dimethoxy-phenyl)-1,2,3,4-tetrahydro-naphthalen-2-yl]-dimethyl-amine

SMILES: COc1cccc(OC)c1-c1cccc2C[C@H](COc12)N(C)C

InChI Key: InChIKey=KDVINCOUYWJUMK-CQSZACIVSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50150684   
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 7


(Homo sapiens (Human))
BDBM50150684
PNG
((R)-8-(2,6-dimethoxyphenyl)-N,N-dimethylchroman-3-...)
Show SMILES COc1cccc(OC)c1-c1cccc2C[C@H](COc12)N(C)C |wD:16.22,(-5.36,2.24,;-4,1.49,;-2.67,2.28,;-2.7,3.82,;-1.37,4.59,;,3.84,;,2.29,;1.31,1.53,;2.64,2.29,;-1.34,1.53,;-1.34,-.01,;-2.67,-.78,;-2.67,-2.32,;-1.34,-3.09,;,-2.34,;1.31,-3.13,;2.67,-2.34,;2.67,-.78,;1.31,-.01,;,-.78,;4,-3.13,;4,-4.66,;5.35,-2.34,)|
Show InChI InChI=1S/C19H23NO3/c1-20(2)14-11-13-7-5-8-15(19(13)23-12-14)18-16(21-3)9-6-10-17(18)22-4/h5-10,14H,11-12H2,1-4H3/t14-/m1/s1
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Article
PubMed
2.55n/an/an/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cells


Bioorg Med Chem 18: 1958-67 (2010)


Article DOI: 10.1016/j.bmc.2010.01.035
BindingDB Entry DOI: 10.7270/Q2S182M1
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50150684
PNG
((R)-8-(2,6-dimethoxyphenyl)-N,N-dimethylchroman-3-...)
Show SMILES COc1cccc(OC)c1-c1cccc2C[C@H](COc12)N(C)C |wD:16.22,(-5.36,2.24,;-4,1.49,;-2.67,2.28,;-2.7,3.82,;-1.37,4.59,;,3.84,;,2.29,;1.31,1.53,;2.64,2.29,;-1.34,1.53,;-1.34,-.01,;-2.67,-.78,;-2.67,-2.32,;-1.34,-3.09,;,-2.34,;1.31,-3.13,;2.67,-2.34,;2.67,-.78,;1.31,-.01,;,-.78,;4,-3.13,;4,-4.66,;5.35,-2.34,)|
Show InChI InChI=1S/C19H23NO3/c1-20(2)14-11-13-7-5-8-15(19(13)23-12-14)18-16(21-3)9-6-10-17(18)22-4/h5-10,14H,11-12H2,1-4H3/t14-/m1/s1
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5.29n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-5-HT binding to rat 5-hydroxytryptamine 7 receptor


J Med Chem 47: 3927-30 (2004)


Article DOI: 10.1021/jm0498102
BindingDB Entry DOI: 10.7270/Q2FQ9W2Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50150684
PNG
((R)-8-(2,6-dimethoxyphenyl)-N,N-dimethylchroman-3-...)
Show SMILES COc1cccc(OC)c1-c1cccc2C[C@H](COc12)N(C)C |wD:16.22,(-5.36,2.24,;-4,1.49,;-2.67,2.28,;-2.7,3.82,;-1.37,4.59,;,3.84,;,2.29,;1.31,1.53,;2.64,2.29,;-1.34,1.53,;-1.34,-.01,;-2.67,-.78,;-2.67,-2.32,;-1.34,-3.09,;,-2.34,;1.31,-3.13,;2.67,-2.34,;2.67,-.78,;1.31,-.01,;,-.78,;4,-3.13,;4,-4.66,;5.35,-2.34,)|
Show InChI InChI=1S/C19H23NO3/c1-20(2)14-11-13-7-5-8-15(19(13)23-12-14)18-16(21-3)9-6-10-17(18)22-4/h5-10,14H,11-12H2,1-4H3/t14-/m1/s1
PDB

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UniChem

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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-8-OH-DPAT binding to rat 5-hydroxytryptamine 1A receptor


J Med Chem 47: 3927-30 (2004)


Article DOI: 10.1021/jm0498102
BindingDB Entry DOI: 10.7270/Q2FQ9W2Z
More data for this
Ligand-Target Pair