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4 similar compounds to monomer 50408194

Compile data set for download or QSAR
Wt: 395.5
BDBM50408193
Wt: 381.5
BDBM50408205
Wt: 443.5
BDBM50408216
Wt: 397.5
BDBM50408229

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50408193,50408205,50408216,50408229   
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
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408205
PNG
(CHEMBL88435)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1C
Show InChI InChI=1S/C22H31N5O/c1-18-8-4-5-10-20(18)27-16-14-26(15-17-27)13-7-12-24-21-19(9-6-11-23-21)22(28)25(2)3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
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PubMed
0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408229
PNG
(CHEMBL329160)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
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0.794n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound was screened in vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50408193
PNG
(CHEMBL92109)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1c(C)cccc1C
Show InChI InChI=1S/C23H33N5O/c1-18-8-5-9-19(2)21(18)28-16-14-27(15-17-28)13-7-12-25-22-20(10-6-11-24-22)23(29)26(3)4/h5-6,8-11H,7,12-17H2,1-4H3,(H,24,25)
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7.90n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
In vitro for the displacement of [3H]prazosin binding to bovine Alpha-1A adrenergic receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50408229
PNG
(CHEMBL329160)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
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25n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound's binding affinity against 5-hydroxytryptamine 1A receptor


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50408229
PNG
(CHEMBL329160)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C22H31N5O2/c1-25(2)22(28)18-8-6-11-23-21(18)24-12-7-13-26-14-16-27(17-15-26)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,23,24)
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40n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound's binding affinity against Dopamine receptor D2


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(NEONATAL RAT)
BDBM50408216
PNG
(CHEMBL90746)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H33N5O/c1-30(2)27(33)24-13-8-15-28-26(24)29-16-9-17-31-18-20-32(21-19-31)25-14-7-6-12-23(25)22-10-4-3-5-11-22/h3-8,10-15H,9,16-21H2,1-2H3,(H,28,29)
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79n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound's binding affinity against Alpha-2B adrenergic receptor from rat kidney homogenate in the presence of phentolamine


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50408216
PNG
(CHEMBL90746)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H33N5O/c1-30(2)27(33)24-13-8-15-28-26(24)29-16-9-17-31-18-20-32(21-19-31)25-14-7-6-12-23(25)22-10-4-3-5-11-22/h3-8,10-15H,9,16-21H2,1-2H3,(H,28,29)
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126n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
The compound's binding affinity against Dopamine receptor D2


J Med Chem 40: 2674-87 (1997)

Checked by Author
Article DOI: 10.1021/jm970166j
BindingDB Entry DOI: 10.7270/Q2R78GD2
More data for this
Ligand-Target Pair