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BDBM50461412 CHEMBL4228054

SMILES: CCCCCN1CCC(C1)c1cccc(O)c1

InChI Key: InChIKey=UXQSBUSPGKCLJW-UHFFFAOYSA-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 = 50461412   
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(3) dopamine receptor


(Homo sapiens (Human))
BDBM50461412
PNG
(CHEMBL4228054)
Show SMILES CCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-4-9-16-10-8-14(12-16)13-6-5-7-15(17)11-13/h5-7,11,14,17H,2-4,8-10,12H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
131n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50461412
PNG
(CHEMBL4228054)
Show SMILES CCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-4-9-16-10-8-14(12-16)13-6-5-7-15(17)11-13/h5-7,11,14,17H,2-4,8-10,12H2,1H3
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PC sid
UniChem
Article
PubMed
164n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D4 receptor expressed in stable HEK cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50461412
PNG
(CHEMBL4228054)
Show SMILES CCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-4-9-16-10-8-14(12-16)13-6-5-7-15(17)11-13/h5-7,11,14,17H,2-4,8-10,12H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
326n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]-Way100635 from 5HT1A receptor (unknown origin) expressed in stable CHO cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50461412
PNG
(CHEMBL4228054)
Show SMILES CCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-4-9-16-10-8-14(12-16)13-6-5-7-15(17)11-13/h5-7,11,14,17H,2-4,8-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
542n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50461412
PNG
(CHEMBL4228054)
Show SMILES CCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-4-9-16-10-8-14(12-16)13-6-5-7-15(17)11-13/h5-7,11,14,17H,2-4,8-10,12H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
605n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from human dopamine D5 receptor expressed in HEK293T cell membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50461412
PNG
(CHEMBL4228054)
Show SMILES CCCCCN1CCC(C1)c1cccc(O)c1
Show InChI InChI=1S/C15H23NO/c1-2-3-4-9-16-10-8-14(12-16)13-6-5-7-15(17)11-13/h5-7,11,14,17H,2-4,8-10,12H2,1H3
PDB

Reactome pathway
KEGG

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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Southern Illinois University Edwardsville

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed in stable fibroblasts membranes by radioligand binding assay


Bioorg Med Chem Lett 28: 1897-1902 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.084
BindingDB Entry DOI: 10.7270/Q2F47RS3
More data for this
Ligand-Target Pair