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2 similar compounds to monomer 50164452

Compile data set for download or QSAR
Wt: 398.4
BDBM50164459
Wt: 398.4
BDBM50164461

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50164459,50164461   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164459
PNG
(2-[4-(9H-5,6-Dioxa-benzocyclohepten-1-yl)-piperazi...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)C2CCCN12
Show InChI InChI=1S/C21H26N4O4/c26-20-14-24(21(27)18-6-2-8-25(18)20)15-22-9-11-23(12-10-22)17-5-1-7-19-16(17)4-3-13-28-29-19/h1,3,5,7,13,18H,2,4,6,8-12,14-15H2
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UniChem

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Article
PubMed
11.6n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164461
PNG
((S)-2-[4-(9H-5,6-Dioxa-benzocyclohepten-1-yl)-pipe...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)[C@@H]2CCCN12
Show InChI InChI=1S/C21H26N4O4/c26-20-14-24(21(27)18-6-2-8-25(18)20)15-22-9-11-23(12-10-22)17-5-1-7-19-16(17)4-3-13-28-29-19/h1,3,5,7,13,18H,2,4,6,8-12,14-15H2/t18-/m0/s1
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-2558 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q23F4PNB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164459
PNG
(2-[4-(9H-5,6-Dioxa-benzocyclohepten-1-yl)-piperazi...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)C2CCCN12
Show InChI InChI=1S/C21H26N4O4/c26-20-14-24(21(27)18-6-2-8-25(18)20)15-22-9-11-23(12-10-22)17-5-1-7-19-16(17)4-3-13-28-29-19/h1,3,5,7,13,18H,2,4,6,8-12,14-15H2
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CHEMBL
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Article
12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-2558 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q23F4PNB
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164461
PNG
((S)-2-[4-(9H-5,6-Dioxa-benzocyclohepten-1-yl)-pipe...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)[C@@H]2CCCN12
Show InChI InChI=1S/C21H26N4O4/c26-20-14-24(21(27)18-6-2-8-25(18)20)15-22-9-11-23(12-10-22)17-5-1-7-19-16(17)4-3-13-28-29-19/h1,3,5,7,13,18H,2,4,6,8-12,14-15H2/t18-/m0/s1
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PubMed
12.3n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164459
PNG
(2-[4-(9H-5,6-Dioxa-benzocyclohepten-1-yl)-piperazi...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)C2CCCN12
Show InChI InChI=1S/C21H26N4O4/c26-20-14-24(21(27)18-6-2-8-25(18)20)15-22-9-11-23(12-10-22)17-5-1-7-19-16(17)4-3-13-28-29-19/h1,3,5,7,13,18H,2,4,6,8-12,14-15H2
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Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-2558 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q23F4PNB
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164461
PNG
((S)-2-[4-(9H-5,6-Dioxa-benzocyclohepten-1-yl)-pipe...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)[C@@H]2CCCN12
Show InChI InChI=1S/C21H26N4O4/c26-20-14-24(21(27)18-6-2-8-25(18)20)15-22-9-11-23(12-10-22)17-5-1-7-19-16(17)4-3-13-28-29-19/h1,3,5,7,13,18H,2,4,6,8-12,14-15H2/t18-/m0/s1
Reactome pathway
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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-2558 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q23F4PNB
More data for this
Ligand-Target Pair