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BDBM50164355 6-(4-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione::CHEMBL189437

SMILES: COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(Cl)cc2)CC1

InChI Key: InChIKey=MOIUZUKSUMOMKZ-UHFFFAOYSA-N

Data: 4 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50164355   
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))
BDBM50164355
PNG
(6-(4-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-5-3-2-4-21(22)30-13-10-29(11-14-30)12-15-31-24(32)23-20(28-25(31)33)16-19(27-23)17-6-8-18(26)9-7-17/h2-9,16,27H,10-15H2,1H3,(H,28,33)
PDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
3.64n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]-spiperone binding to Dopamine receptor D2 from rat striatum


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50164355
PNG
(6-(4-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-5-3-2-4-21(22)30-13-10-29(11-14-30)12-15-31-24(32)23-20(28-25(31)33)16-19(27-23)17-6-8-18(26)9-7-17/h2-9,16,27H,10-15H2,1H3,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 19: 5260-76 (2011)


Article DOI: 10.1016/j.bmc.2011.06.043
BindingDB Entry DOI: 10.7270/Q2D50NBD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50164355
PNG
(6-(4-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-5-3-2-4-21(22)30-13-10-29(11-14-30)12-15-31-24(32)23-20(28-25(31)33)16-19(27-23)17-6-8-18(26)9-7-17/h2-9,16,27H,10-15H2,1H3,(H,28,33)
PDB

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibition of [3H]-SCH-23,390 binding to Dopamine receptor D1 from rat striatum


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50164355
PNG
(6-(4-Chloro-phenyl)-3-{2-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc([nH]c3c2=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C25H26ClN5O3/c1-34-22-5-3-2-4-21(22)30-13-10-29(11-14-30)12-15-31-24(32)23-20(28-25(31)33)16-19(27-23)17-6-8-18(26)9-7-17/h2-9,16,27H,10-15H2,1H3,(H,28,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Università di Catania

Curated by ChEMBL


Assay Description
Inhibtion of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus


J Med Chem 48: 2420-31 (2005)


Article DOI: 10.1021/jm040870h
BindingDB Entry DOI: 10.7270/Q2377872
More data for this
Ligand-Target Pair