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BDBM50164343 3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-p-tolyl-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione::3-{2-[4-(2-Chloro-phenyl)-piperazin-1-yl]-ethyl}-6-p-tolyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione::CHEMBL372222

SMILES: Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1

InChI Key: InChIKey=DSHAQKQNBSNNEJ-UHFFFAOYSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50164343   
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
DOPAMINE


(RAT)
BDBM50164343
PNG
(3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-p-...)
Show SMILES Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
Show InChI InChI=1S/C25H26ClN5O2/c1-17-6-8-18(9-7-17)20-16-21-23(27-20)24(32)31(25(33)28-21)15-12-29-10-13-30(14-11-29)22-5-3-2-4-19(22)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
UniProtKB/SwissProt

GoogleScholar
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
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
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50164343
PNG
(3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-p-...)
Show SMILES Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
Show InChI InChI=1S/C25H26ClN5O2/c1-17-6-8-18(9-7-17)20-16-21-23(27-20)24(32)31(25(33)28-21)15-12-29-10-13-30(14-11-29)22-5-3-2-4-19(22)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
Reactome pathway
KEGG

GoogleScholar
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
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50164343
PNG
(3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-p-...)
Show SMILES Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
Show InChI InChI=1S/C25H26ClN5O2/c1-17-6-8-18(9-7-17)20-16-21-23(27-20)24(32)31(25(33)28-21)15-12-29-10-13-30(14-11-29)22-5-3-2-4-19(22)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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
Binding affinity to dopamine D2 receptor


Bioorg Med Chem Lett 16: 150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.027
BindingDB Entry DOI: 10.7270/Q2571BJ8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50164343
PNG
(3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-p-...)
Show SMILES Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
Show InChI InChI=1S/C25H26ClN5O2/c1-17-6-8-18(9-7-17)20-16-21-23(27-20)24(32)31(25(33)28-21)15-12-29-10-13-30(14-11-29)22-5-3-2-4-19(22)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
UniProtKB/SwissProt

GoogleScholar
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
Binding affinity to 5HT1A


Bioorg Med Chem Lett 16: 150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.027
BindingDB Entry DOI: 10.7270/Q2571BJ8
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50164343
PNG
(3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-p-...)
Show SMILES Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
Show InChI InChI=1S/C25H26ClN5O2/c1-17-6-8-18(9-7-17)20-16-21-23(27-20)24(32)31(25(33)28-21)15-12-29-10-13-30(14-11-29)22-5-3-2-4-19(22)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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
Binding affinity to dopamine D1 receptor


Bioorg Med Chem Lett 16: 150-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.027
BindingDB Entry DOI: 10.7270/Q2571BJ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164343
PNG
(3-(2-(4-(2-chlorophenyl)piperazin-1-yl)ethyl)-6-p-...)
Show SMILES Cc1ccc(cc1)-c1cc2[nH]c(=O)n(CCN3CCN(CC3)c3ccccc3Cl)c(=O)c2[nH]1
Show InChI InChI=1S/C25H26ClN5O2/c1-17-6-8-18(9-7-17)20-16-21-23(27-20)24(32)31(25(33)28-21)15-12-29-10-13-30(14-11-29)22-5-3-2-4-19(22)26/h2-9,16,27H,10-15H2,1H3,(H,28,33)
KEGG

GoogleScholar
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