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SMILES: COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23

InChI Key: InChIKey=UHYZEOGGPBAXJR-MRXNPFEDSA-N

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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 4 hits for monomerid = 50214522   
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


(Rattus norvegicus (rat))
BDBM50214522
PNG
((R)-2-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23
Show InChI InChI=1S/C19H21NO2/c1-11-4-5-12-9-16-17-13(6-7-20(16)2)8-14(22-3)10-15(17)18(12)19(11)21/h4-5,8,10,16,21H,6-7,9H2,1-3H3/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
21.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50214522
PNG
((R)-2-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23
Show InChI InChI=1S/C19H21NO2/c1-11-4-5-12-9-16-17-13(6-7-20(16)2)8-14(22-3)10-15(17)18(12)19(11)21/h4-5,8,10,16,21H,6-7,9H2,1-3H3/t16-/m1/s1
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PubMed
271n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from rat 5HT2A receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50214522
PNG
((R)-2-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23
Show InChI InChI=1S/C19H21NO2/c1-11-4-5-12-9-16-17-13(6-7-20(16)2)8-14(22-3)10-15(17)18(12)19(11)21/h4-5,8,10,16,21H,6-7,9H2,1-3H3/t16-/m1/s1
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Article
PubMed
1.78E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from rat dopamine D1 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50214522
PNG
((R)-2-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H...)
Show SMILES COc1cc2CCN(C)[C@@H]3Cc4ccc(C)c(O)c4-c(c1)c23
Show InChI InChI=1S/C19H21NO2/c1-11-4-5-12-9-16-17-13(6-7-20(16)2)8-14(22-3)10-15(17)18(12)19(11)21/h4-5,8,10,16,21H,6-7,9H2,1-3H3/t16-/m1/s1
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Article
PubMed
3.76E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]nemonapride from rat dopamine D2 receptor


Bioorg Med Chem Lett 17: 4128-30 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.057
BindingDB Entry DOI: 10.7270/Q2ZG6RZ2
More data for this
Ligand-Target Pair