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BDBM50263468 11-Hexanoyloxy-N-n-propylnoraporphine::CHEMBL515342

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

InChI Key: InChIKey=IHDFATFMTYOPPY-OAQYLSRUSA-N

Data: 4 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 4 hits for monomerid = 50263468   
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))
BDBM50263468
PNG
(11-Hexanoyloxy-N-n-propylnoraporphine | CHEMBL5153...)
Show SMILES CCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12
Show InChI InChI=1S/C25H31NO2/c1-3-5-6-13-23(27)28-22-12-8-10-19-17-21-24-18(14-16-26(21)15-4-2)9-7-11-20(24)25(19)22/h7-12,21H,3-6,13-17H2,1-2H3/t21-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
10n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50263468
PNG
(11-Hexanoyloxy-N-n-propylnoraporphine | CHEMBL5153...)
Show SMILES CCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12
Show InChI InChI=1S/C25H31NO2/c1-3-5-6-13-23(27)28-22-12-8-10-19-17-21-24-18(14-16-26(21)15-4-2)9-7-11-20(24)25(19)22/h7-12,21H,3-6,13-17H2,1-2H3/t21-/m1/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
109n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50263468
PNG
(11-Hexanoyloxy-N-n-propylnoraporphine | CHEMBL5153...)
Show SMILES CCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12
Show InChI InChI=1S/C25H31NO2/c1-3-5-6-13-23(27)28-22-12-8-10-19-17-21-24-18(14-16-26(21)15-4-2)9-7-11-20(24)25(19)22/h7-12,21H,3-6,13-17H2,1-2H3/t21-/m1/s1
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Article
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))
BDBM50263468
PNG
(11-Hexanoyloxy-N-n-propylnoraporphine | CHEMBL5153...)
Show SMILES CCCCCC(=O)Oc1cccc2C[C@H]3N(CCC)CCc4cccc(c34)-c12
Show InChI InChI=1S/C25H31NO2/c1-3-5-6-13-23(27)28-22-12-8-10-19-17-21-24-18(14-16-26(21)15-4-2)9-7-11-20(24)25(19)22/h7-12,21H,3-6,13-17H2,1-2H3/t21-/m1/s1
PDB

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UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
>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