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BDBM50407737 CHEMBL2021538

SMILES: CCCN[C@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1

InChI Key: InChIKey=NNGXRRFVMCSLCM-UGPWUYPHNA-N

Data: 6 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 6 hits for monomerid = 50407737   
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(2) dopamine receptor


(Homo sapiens (Human))
BDBM50407737
PNG
(CHEMBL2021538)
Show SMILES CCCN[C@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1
Show InChI InChI=1/C15H20F3NO2S/c1-2-8-19-13-6-7-14-11(9-13)4-3-5-12(14)10-22(20,21)15(16,17)18/h3-5,13,19H,2,6-10H2,1H3/t13-/s2
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PubMed
8.70n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 by using [3H]U-86170 as radioligand


J Med Chem 38: 1319-29 (1995)


Article DOI: 10.1021/jm00008a010
BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50407737
PNG
(CHEMBL2021538)
Show SMILES CCCN[C@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1
Show InChI InChI=1/C15H20F3NO2S/c1-2-8-19-13-6-7-14-11(9-13)4-3-5-12(14)10-22(20,21)15(16,17)18/h3-5,13,19H,2,6-10H2,1H3/t13-/s2
UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
10n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by using [3H]-8-OH-DPAT as radioligand


J Med Chem 38: 1319-29 (1995)


Article DOI: 10.1021/jm00008a010
BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
D2-like dopamine receptor


(Homo sapiens (Human))
BDBM50407737
PNG
(CHEMBL2021538)
Show SMILES CCCN[C@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1
Show InChI InChI=1/C15H20F3NO2S/c1-2-8-19-13-6-7-14-11(9-13)4-3-5-12(14)10-22(20,21)15(16,17)18/h3-5,13,19H,2,6-10H2,1H3/t13-/s2
UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
15n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D3 by using [3H]spiperone as radioligand


J Med Chem 38: 1319-29 (1995)


Article DOI: 10.1021/jm00008a010
BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50407737
PNG
(CHEMBL2021538)
Show SMILES CCCN[C@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1
Show InChI InChI=1/C15H20F3NO2S/c1-2-8-19-13-6-7-14-11(9-13)4-3-5-12(14)10-22(20,21)15(16,17)18/h3-5,13,19H,2,6-10H2,1H3/t13-/s2
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63n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor alpha by using [3H]5-HT as radioligand


J Med Chem 38: 1319-29 (1995)


Article DOI: 10.1021/jm00008a010
BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50407737
PNG
(CHEMBL2021538)
Show SMILES CCCN[C@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1
Show InChI InChI=1/C15H20F3NO2S/c1-2-8-19-13-6-7-14-11(9-13)4-3-5-12(14)10-22(20,21)15(16,17)18/h3-5,13,19H,2,6-10H2,1H3/t13-/s2
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Article
PubMed
115n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Dopamine receptor D2 by using [3H]spiperone as radioligand


J Med Chem 38: 1319-29 (1995)


Article DOI: 10.1021/jm00008a010
BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50407737
PNG
(CHEMBL2021538)
Show SMILES CCCN[C@H]1CCc2c(CS(=O)(=O)C(F)(F)F)cccc2C1
Show InChI InChI=1/C15H20F3NO2S/c1-2-8-19-13-6-7-14-11(9-13)4-3-5-12(14)10-22(20,21)15(16,17)18/h3-5,13,19H,2,6-10H2,1H3/t13-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
130n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1D receptor beta by using [3H]5-HT as radioligand


J Med Chem 38: 1319-29 (1995)


Article DOI: 10.1021/jm00008a010
BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair