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BDBM50039773 3-((S)-1-Butyl-piperidin-3-yl)-benzonitrile::CHEMBL96191

SMILES: CCCCN1CCC[C@H](C1)c1cccc(c1)C#N

InChI Key: InChIKey=RBAZQAAINJJBRX-MRXNPFEDSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50039773   
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))
BDBM50039773
PNG
(3-((S)-1-Butyl-piperidin-3-yl)-benzonitrile | CHEM...)
Show SMILES CCCCN1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H22N2/c1-2-3-9-18-10-5-8-16(13-18)15-7-4-6-14(11-15)12-17/h4,6-7,11,16H,2-3,5,8-10,13H2,1H3/t16-/m1/s1
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>217n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells, using [3H]-spiperone as radioligand


J Med Chem 37: 2735-53 (1994)


Article DOI: 10.1021/jm00043a013
BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50039773
PNG
(3-((S)-1-Butyl-piperidin-3-yl)-benzonitrile | CHEM...)
Show SMILES CCCCN1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H22N2/c1-2-3-9-18-10-5-8-16(13-18)15-7-4-6-14(11-15)12-17/h4,6-7,11,16H,2-3,5,8-10,13H2,1H3/t16-/m1/s1
Reactome pathway
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
617n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Affinity against striatal dopamine D2 receptors using [3H]spiperone as radioligand in rats.


J Med Chem 37: 2735-53 (1994)


Article DOI: 10.1021/jm00043a013
BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50039773
PNG
(3-((S)-1-Butyl-piperidin-3-yl)-benzonitrile | CHEM...)
Show SMILES CCCCN1CCC[C@H](C1)c1cccc(c1)C#N
Show InChI InChI=1S/C16H22N2/c1-2-3-9-18-10-5-8-16(13-18)15-7-4-6-14(11-15)12-17/h4,6-7,11,16H,2-3,5,8-10,13H2,1H3/t16-/m1/s1
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.48E+3n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT in homogenized rat brain tissue


J Med Chem 37: 2735-53 (1994)


Article DOI: 10.1021/jm00043a013
BindingDB Entry DOI: 10.7270/Q2J96719
More data for this
Ligand-Target Pair