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BDBM50367726 CHEMBL1202507

SMILES: COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1

InChI Key: InChIKey=YNJVCNKZQNAPMV-UHFFFAOYSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50367726   
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
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50367726
PNG
(CHEMBL1202507)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:23,THB:26:27:23.22:19.20,26:25:23.22:19.20,28:20:23.22:27.25|
Show InChI InChI=1S/C26H33N3O3/c1-32-22-7-3-2-6-21(22)28-14-12-27(13-15-28)10-4-5-11-29-25(30)23-17-8-9-18(20-16-19(17)20)24(23)26(29)31/h2-3,6-9,17-20,23-24H,4-5,10-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.30n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50367726
PNG
(CHEMBL1202507)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)C3C(C4C=CC3C3CC43)C2=O)CC1 |c:23,THB:26:27:23.22:19.20,26:25:23.22:19.20,28:20:23.22:27.25|
Show InChI InChI=1S/C26H33N3O3/c1-32-22-7-3-2-6-21(22)28-14-12-27(13-15-28)10-4-5-11-29-25(30)23-17-8-9-18(20-16-19(17)20)24(23)26(29)31/h2-3,6-9,17-20,23-24H,4-5,10-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
16n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue


J Med Chem 31: 1382-92 (1988)


BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair