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BDBM50192906 8S-hydroxylobel-9-ene::CHEMBL213613

SMILES: CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1

InChI Key: InChIKey=IKYXUFYHDWVXST-HTNBDEJSSA-N

Data: 3 KI  2 IC50

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 5 hits for monomerid = 50192906   
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
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-22,24H,8,13-14,17H2,1H3/b16-15+/t20-,21+,22-/m0/s1
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PubMed
960n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at DAT in rat striatal synaptosomes


Bioorg Med Chem Lett 16: 5018-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.070
BindingDB Entry DOI: 10.7270/Q2513XTK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-22,24H,8,13-14,17H2,1H3/b16-15+/t20-,21+,22-/m0/s1
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Article
PubMed
3.75E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT uptake at SERT in rat hippocampal synaptosomes


Bioorg Med Chem Lett 16: 5018-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.070
BindingDB Entry DOI: 10.7270/Q2513XTK
More data for this
Ligand-Target Pair
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-22,24H,8,13-14,17H2,1H3/b16-15+/t20-,21+,22-/m0/s1
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Article
PubMed
6.06E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTBZ binding to VMAT2 in rat synaptic vesicle membrane


Bioorg Med Chem Lett 16: 5018-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.070
BindingDB Entry DOI: 10.7270/Q2513XTK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-22,24H,8,13-14,17H2,1H3/b16-15+/t20-,21+,22-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]MLA binding to alpha7 nAChR in rat brain membrane


Bioorg Med Chem Lett 16: 5018-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.070
BindingDB Entry DOI: 10.7270/Q2513XTK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50192906
PNG
(8S-hydroxylobel-9-ene | CHEMBL213613)
Show SMILES CN1[C@@H](C[C@H](O)c2ccccc2)CCC[C@H]1\C=C\c1ccccc1
Show InChI InChI=1S/C22H27NO/c1-23-20(16-15-18-9-4-2-5-10-18)13-8-14-21(23)17-22(24)19-11-6-3-7-12-19/h2-7,9-12,15-16,20-22,24H,8,13-14,17H2,1H3/b16-15+/t20-,21+,22-/m0/s1
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]NIC binding to alpha4beta2 nAChR in rat brain membrane


Bioorg Med Chem Lett 16: 5018-21 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.070
BindingDB Entry DOI: 10.7270/Q2513XTK
More data for this
Ligand-Target Pair