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BDBM50143689 8-{2-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione::CHEMBL55654

SMILES: Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1

InChI Key: InChIKey=RURCUXSXKOFVNM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50143689   
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
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143689
PNG
(8-{2-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H30ClN3O2/c1-17-4-5-18(23)14-19(17)25-11-8-24(9-12-25)10-13-26-20(27)15-22(16-21(26)28)6-2-3-7-22/h4-5,14H,2-3,6-13,15-16H2,1H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.370n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to the adrenergic receptor alpha-1D of rat aorta


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50143689
PNG
(8-{2-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H30ClN3O2/c1-17-4-5-18(23)14-19(17)25-11-8-24(9-12-25)10-13-26-20(27)15-22(16-21(26)28)6-2-3-7-22/h4-5,14H,2-3,6-13,15-16H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
26.6n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity constant against alpha-1B adrenergic receptor of guinea pig spleen


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50143689
PNG
(8-{2-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H30ClN3O2/c1-17-4-5-18(23)14-19(17)25-11-8-24(9-12-25)10-13-26-20(27)15-22(16-21(26)28)6-2-3-7-22/h4-5,14H,2-3,6-13,15-16H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
135n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
Binding affinity to human 5-hydroxytryptamine 1A receptor was measured using [3H]-8-hydroxy-2-(di-n-propylamine) tetraline [3H]-8-OH-DPAT) as radioli...


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50143689
PNG
(8-{2-[4-(5-Chloro-2-methyl-phenyl)-piperazin-1-yl]...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H30ClN3O2/c1-17-4-5-18(23)14-19(17)25-11-8-24(9-12-25)10-13-26-20(27)15-22(16-21(26)28)6-2-3-7-22/h4-5,14H,2-3,6-13,15-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Recordati s.p.a.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-1A adrenergic receptor through displacement of [3H]-prazosin in epididymal rat vas deferens.


J Med Chem 47: 1900-18 (2004)


Article DOI: 10.1021/jm030944+
BindingDB Entry DOI: 10.7270/Q23F4P35
More data for this
Ligand-Target Pair