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BDBM50006958 2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione::CHEMBL55528

SMILES: COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1

InChI Key: InChIKey=UZRVBSAZMGMVTH-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50006958   
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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006958
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H27N5O3/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)11-6-12-29-23(30)22-21(26-24(29)31)17-7-2-3-8-18(17)25-22/h2-5,7-10,25H,6,11-16H2,1H3,(H,26,31)
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for Alpha-1 adrenergic receptor measured by displacing [3H]-prazosin from rat cortical membranes


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006958
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H27N5O3/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)11-6-12-29-23(30)22-21(26-24(29)31)17-7-2-3-8-18(17)25-22/h2-5,7-10,25H,6,11-16H2,1H3,(H,26,31)
KEGG

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
308n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1A receptor measured by displacing [3H]-8-OH-DPAT from rat cortical membranes


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006958
PNG
(2-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCn2c(=O)[nH]c3c4ccccc4[nH]c3c2=O)CC1
Show InChI InChI=1S/C24H27N5O3/c1-32-20-10-5-4-9-19(20)28-15-13-27(14-16-28)11-6-12-29-23(30)22-21(26-24(29)31)17-7-2-3-8-18(17)25-22/h2-5,7-10,25H,6,11-16H2,1H3,(H,26,31)
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
1.18E+3n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity towards Beta-2 adrenergic receptor in human periipheral mononuclear leukocyte membranes using [125I]-pindolol


J Med Chem 34: 1850-4 (1991)


Article DOI: 10.1021/jm00110a014
BindingDB Entry DOI: 10.7270/Q25B01FV
More data for this
Ligand-Target Pair