BindingDB logo
myBDB logout

BDBM50083533 4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carbonitrile::CHEMBL324886::CHEMBL540360

SMILES: CN1CCC(CC1)(C#N)c1ccc(Cl)cc1

InChI Key: InChIKey=AYWBNYYILPCQOL-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50083533   
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
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50083533
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.11E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]paroxetine binding to rat serotonin transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50083533
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.11E+3n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]-paroxetine from serotonin transporter (SERT)


Bioorg Med Chem Lett 9: 3273-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00606-x
BindingDB Entry DOI: 10.7270/Q23F4NVM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50083533
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN- 35,428 from dopamine transporter (DAT)


Bioorg Med Chem Lett 9: 3273-6 (2000)


Article DOI: 10.1016/s0960-894x(99)00606-x
BindingDB Entry DOI: 10.7270/Q23F4NVM
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50083533
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to rat dopamine transporter


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083533
PNG
(4-(4-Chloro-phenyl)-1-methyl-piperidine-4-carbonit...)
Show SMILES CN1CCC(CC1)(C#N)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H15ClN2/c1-16-8-6-13(10-15,7-9-16)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.68E+4n/an/an/an/an/an/an/an/a



University of New Orleans

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to mu-opioid receptor at 100 uM


J Med Chem 48: 1336-43 (2005)


Article DOI: 10.1021/jm0401614
BindingDB Entry DOI: 10.7270/Q2PZ59KQ
More data for this
Ligand-Target Pair