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BDBM50202292 11-valeryloxynoraporphine::CHEMBL403550::Pentanoic acid (R)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl ester

SMILES: CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12

InChI Key: InChIKey=JGCVBGVDWQJTDF-HXUWFJFHSA-N

Data: 8 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 8 hits for monomerid = 50202292   
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
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50202292
PNG
(11-valeryloxynoraporphine | CHEMBL403550 | Pentano...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C24H29NO2/c1-3-5-12-22(26)27-21-11-7-9-18-16-20-23-17(13-15-25(20)14-4-2)8-6-10-19(23)24(18)21/h6-11,20H,3-5,12-16H2,1-2H3/t20-/m1/s1
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PubMed
23n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from human dopamine D1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 8335-8 (2008)


Article DOI: 10.1016/j.bmc.2008.08.056
BindingDB Entry DOI: 10.7270/Q2Q52PG5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50202292
PNG
(11-valeryloxynoraporphine | CHEMBL403550 | Pentano...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C24H29NO2/c1-3-5-12-22(26)27-21-11-7-9-18-16-20-23-17(13-15-25(20)14-4-2)8-6-10-19(23)24(18)21/h6-11,20H,3-5,12-16H2,1-2H3/t20-/m1/s1
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34n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


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


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50202292
PNG
(11-valeryloxynoraporphine | CHEMBL403550 | Pentano...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C24H29NO2/c1-3-5-12-22(26)27-21-11-7-9-18-16-20-23-17(13-15-25(20)14-4-2)8-6-10-19(23)24(18)21/h6-11,20H,3-5,12-16H2,1-2H3/t20-/m1/s1
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92n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human 5HT2A receptor expressed in HEK293 cells


Bioorg Med Chem 16: 8335-8 (2008)


Article DOI: 10.1016/j.bmc.2008.08.056
BindingDB Entry DOI: 10.7270/Q2Q52PG5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50202292
PNG
(11-valeryloxynoraporphine | CHEMBL403550 | Pentano...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C24H29NO2/c1-3-5-12-22(26)27-21-11-7-9-18-16-20-23-17(13-15-25(20)14-4-2)8-6-10-19(23)24(18)21/h6-11,20H,3-5,12-16H2,1-2H3/t20-/m1/s1
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340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50202292
PNG
(11-valeryloxynoraporphine | CHEMBL403550 | Pentano...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C24H29NO2/c1-3-5-12-22(26)27-21-11-7-9-18-16-20-23-17(13-15-25(20)14-4-2)8-6-10-19(23)24(18)21/h6-11,20H,3-5,12-16H2,1-2H3/t20-/m1/s1
PDB

KEGG

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PC sid
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from rat 5HT1A receptor expressed in CHO cells


Bioorg Med Chem 16: 8335-8 (2008)


Article DOI: 10.1016/j.bmc.2008.08.056
BindingDB Entry DOI: 10.7270/Q2Q52PG5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50202292
PNG
(11-valeryloxynoraporphine | CHEMBL403550 | Pentano...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C24H29NO2/c1-3-5-12-22(26)27-21-11-7-9-18-16-20-23-17(13-15-25(20)14-4-2)8-6-10-19(23)24(18)21/h6-11,20H,3-5,12-16H2,1-2H3/t20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human dopamine D2 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 8335-8 (2008)


Article DOI: 10.1016/j.bmc.2008.08.056
BindingDB Entry DOI: 10.7270/Q2Q52PG5
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50202292
PNG
(11-valeryloxynoraporphine | CHEMBL403550 | Pentano...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C24H29NO2/c1-3-5-12-22(26)27-21-11-7-9-18-16-20-23-17(13-15-25(20)14-4-2)8-6-10-19(23)24(18)21/h6-11,20H,3-5,12-16H2,1-2H3/t20-/m1/s1
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PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH-23390 from rat dopamine D1 receptor


J Med Chem 50: 171-81 (2007)


Article DOI: 10.1021/jm060959i
BindingDB Entry DOI: 10.7270/Q22J6CPJ
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50202292
PNG
(11-valeryloxynoraporphine | CHEMBL403550 | Pentano...)
Show SMILES CCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12 |r|
Show InChI InChI=1S/C24H29NO2/c1-3-5-12-22(26)27-21-11-7-9-18-16-20-23-17(13-15-25(20)14-4-2)8-6-10-19(23)24(18)21/h6-11,20H,3-5,12-16H2,1-2H3/t20-/m1/s1
PDB

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PC sid
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Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 51-3 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.025
BindingDB Entry DOI: 10.7270/Q26W99XP
More data for this
Ligand-Target Pair