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BDBM50052869 (R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline::6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline::CHEMBL25924

SMILES: CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31

InChI Key: InChIKey=TVYKKVMHDGSECW-OAQYLSRUSA-N

Data: 9 KI

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 9 hits for monomerid = 50052869   
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 1A


(Homo sapiens (Human))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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PubMed
1.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-8-OH-DPAT binding to rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
In vitro ability to inhibit [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cortical membranes


Bioorg Med Chem Lett 9: 1583-6 (1999)


BindingDB Entry DOI: 10.7270/Q2T152TW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 44: 1337-40 (2001)


BindingDB Entry DOI: 10.7270/Q23X85WM
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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9.78n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from rat 5-hydroxytryptamine 7 receptor expressed in CHO cells


J Med Chem 44: 1337-40 (2001)


BindingDB Entry DOI: 10.7270/Q23X85WM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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PubMed
9.80n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor


J Med Chem 46: 2795-812 (2003)


Article DOI: 10.1021/jm030030n
BindingDB Entry DOI: 10.7270/Q2M0465F
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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233n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human Dopamine receptor D2A


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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233n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine receptor D2A expressed in mouse Ltk cells


J Med Chem 44: 1337-40 (2001)


BindingDB Entry DOI: 10.7270/Q23X85WM
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50052869
PNG
((R)-6-Methyl-11-phenyl-5,6,6a,7-tetrahydro-4H-dibe...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1cccc(-c2ccccc2)c-31
Show InChI InChI=1S/C23H21N/c1-24-14-13-17-9-5-12-20-22-18(15-21(24)23(17)20)10-6-11-19(22)16-7-3-2-4-8-16/h2-12,21H,13-15H2,1H3/t21-/m1/s1
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3.63E+3n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Affinity for dopamine receptor D1 binding measured by competition against [3H]-SCH- 23390 to rat striatal membrane


J Med Chem 39: 3503-13 (1996)


Article DOI: 10.1021/jm960189i
BindingDB Entry DOI: 10.7270/Q2T43S6S
More data for this
Ligand-Target Pair