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BDBM50006953 2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4,9-dimethyl-4,9-dihydro-2,4,9-triaza-fluorene-1,3-dione::CHEMBL54716

SMILES: COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1

InChI Key: InChIKey=PORQJIBOYVIPCB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50006953   
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006953
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-26-19-9-5-4-8-18(19)22-23(26)24(31)30(25(32)27(22)2)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-3/h4-11H,12-17H2,1-3H3
PDB
MMDB

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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50006953
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-26-19-9-5-4-8-18(19)22-23(26)24(31)30(25(32)27(22)2)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-3/h4-11H,12-17H2,1-3H3
KEGG

UniProtKB/SwissProt

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CHEMBL
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UniChem

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Article
PubMed
1.5n/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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006953
PNG
(2-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)n(C)c3c4ccccc4n(C)c3c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-26-19-9-5-4-8-18(19)22-23(26)24(31)30(25(32)27(22)2)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-3/h4-11H,12-17H2,1-3H3
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.320n/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