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BDBM50077602 4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-indol-2-one::CHEMBL61671

SMILES: O=C1Cc2c(N1)cccc2OCCNCCCCc1ccccc1

InChI Key: InChIKey=PTTJRNUQRLBAEV-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50077602   
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


(Rattus norvegicus (rat))
BDBM50077602
PNG
(4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-ind...)
Show SMILES O=C1Cc2c(N1)cccc2OCCNCCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O2/c23-20-15-17-18(22-20)10-6-11-19(17)24-14-13-21-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,21H,4-5,9,12-15H2,(H,22,23)
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Article
PubMed
0.230n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro high binding affinity towards Dopamine receptor D2 by the displacement of [3H]-quinpirole radioligand in rat striatal membranes


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50077602
PNG
(4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-ind...)
Show SMILES O=C1Cc2c(N1)cccc2OCCNCCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O2/c23-20-15-17-18(22-20)10-6-11-19(17)24-14-13-21-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,21H,4-5,9,12-15H2,(H,22,23)
PDB

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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [3H]-8-OH-DPAT radioligand in rat hippocampal homogenates


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50077602
PNG
(4-[2-(4-Phenyl-butylamino)-ethoxy]-1,3-dihydro-ind...)
Show SMILES O=C1Cc2c(N1)cccc2OCCNCCCCc1ccccc1
Show InChI InChI=1S/C20H24N2O2/c23-20-15-17-18(22-20)10-6-11-19(17)24-14-13-21-12-5-4-9-16-7-2-1-3-8-16/h1-3,6-8,10-11,21H,4-5,9,12-15H2,(H,22,23)
PDB

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Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research Laboratories

Curated by ChEMBL


Assay Description
In vitro low binding affinity towards Dopamine receptor D2 by the displacement of [3H]-spiperone radioligand in rat striatal membranes


J Med Chem 42: 2007-20 (1999)


Article DOI: 10.1021/jm990023s
BindingDB Entry DOI: 10.7270/Q25D8R1W
More data for this
Ligand-Target Pair