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BDBM50401410 CHEMBL2207491

SMILES: CCCN1CCC(CC1)n1ccc2ccccc12

InChI Key: InChIKey=GILILHAGYRMOAM-UHFFFAOYSA-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 = 50401410   
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 serotonin transporter


(Homo sapiens (Human))
BDBM50401410
PNG
(CHEMBL2207491)
Show SMILES CCCN1CCC(CC1)n1ccc2ccccc12
Show InChI InChI=1S/C16H22N2/c1-2-10-17-11-8-15(9-12-17)18-13-7-14-5-3-4-6-16(14)18/h3-7,13,15H,2,8-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]imipramine from human SERT expressed in CHO cells by competition binding assay


J Med Chem 55: 9735-50 (2012)


Article DOI: 10.1021/jm300975f
BindingDB Entry DOI: 10.7270/Q26974RR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50401410
PNG
(CHEMBL2207491)
Show SMILES CCCN1CCC(CC1)n1ccc2ccccc12
Show InChI InChI=1S/C16H22N2/c1-2-10-17-11-8-15(9-12-17)18-13-7-14-5-3-4-6-16(14)18/h3-7,13,15H,2,8-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
109n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human high affinity Dopamine D2S receptor by competition binding assay


J Med Chem 55: 9735-50 (2012)


Article DOI: 10.1021/jm300975f
BindingDB Entry DOI: 10.7270/Q26974RR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50401410
PNG
(CHEMBL2207491)
Show SMILES CCCN1CCC(CC1)n1ccc2ccccc12
Show InChI InChI=1S/C16H22N2/c1-2-10-17-11-8-15(9-12-17)18-13-7-14-5-3-4-6-16(14)18/h3-7,13,15H,2,8-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.14E+3n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human low affinity Dopamine D2S receptor by competition binding assay


J Med Chem 55: 9735-50 (2012)


Article DOI: 10.1021/jm300975f
BindingDB Entry DOI: 10.7270/Q26974RR
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50401410
PNG
(CHEMBL2207491)
Show SMILES CCCN1CCC(CC1)n1ccc2ccccc12
Show InChI InChI=1S/C16H22N2/c1-2-10-17-11-8-15(9-12-17)18-13-7-14-5-3-4-6-16(14)18/h3-7,13,15H,2,8-12H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.49E+4n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]Ro 41-1049 from MAO-A in rat cerebral cortex by competition binding assay


J Med Chem 55: 9735-50 (2012)


Article DOI: 10.1021/jm300975f
BindingDB Entry DOI: 10.7270/Q26974RR
More data for this
Ligand-Target Pair