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6 similar compounds to monomer 50408232

Compile data set for download or QSAR
Wt: 437.5
BDBM50408198
Wt: 369.4
BDBM50408201
Wt: 397.5
BDBM50408229
Wt: 415.5
BDBM50408236
Wt: 425.5
BDBM50408239
Wt: 423.5
BDBM50408242

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50408198,50408201,50408229,50408236,50408239,50408242   
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)
BDBM50408198
PNG
(CHEMBL91278)
Show SMILES CN(C)C(=O)c1cccnc1NCCCN1CCN(CC1)c1ccccc1OCC1CC1
Show InChI InChI=1S/C25H35N5O2/c1-28(2)25(31)21-7-5-12-26-24(21)27-13-6-14-29-15-17-30(18-16-29)22-8-3-4-9-23(22)32-19-20-10-11-20/h3-5,7-9,12,20H,6,10-11,13-19H2,1-2H3,(H,26,27)
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0.0794n/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)
BDBM50408201
PNG
(CHEMBL88512)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(N)=O)CC1
Show InChI InChI=1S/C20H27N5O2/c1-27-18-8-3-2-7-17(18)25-14-12-24(13-15-25)11-5-10-23-20-16(19(21)26)6-4-9-22-20/h2-4,6-9H,5,10-15H2,1H3,(H2,21,26)(H,22,23)
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0.126n/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)
BDBM50408242
PNG
(CHEMBL91876)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)N2CCCC2)CC1
Show InChI InChI=1S/C24H33N5O2/c1-31-22-10-3-2-9-21(22)28-18-16-27(17-19-28)13-7-12-26-23-20(8-6-11-25-23)24(30)29-14-4-5-15-29/h2-3,6,8-11H,4-5,7,12-19H2,1H3,(H,25,26)
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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)
BDBM50408239
PNG
(CHEMBL90874)
Show SMILES COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1
Show InChI InChI=1S/C24H35N5O2/c1-24(2,3)27-23(30)19-9-7-12-25-22(19)26-13-8-14-28-15-17-29(18-16-28)20-10-5-6-11-21(20)31-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26)(H,27,30)
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1.60n/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
5-hydroxytryptamine receptor 1A (5HT1A)


(Mus musculus (Mouse))
BDBM50408236
PNG
(CHEMBL420620)
Show SMILES COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C22H30FN5O2/c1-26(2)22(29)18-6-4-9-24-21(18)25-10-5-11-27-12-14-28(15-13-27)19-8-7-17(23)16-20(19)30-3/h4,6-9,16H,5,10-15H2,1-3H3,(H,24,25)
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200n/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))
BDBM50408236
PNG
(CHEMBL420620)
Show SMILES COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C22H30FN5O2/c1-26(2)22(29)18-6-4-9-24-21(18)25-10-5-11-27-12-14-28(15-13-27)19-8-7-17(23)16-20(19)30-3/h4,6-9,16H,5,10-15H2,1-3H3,(H,24,25)
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200n/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)
BDBM50408236
PNG
(CHEMBL420620)
Show SMILES COc1cc(F)ccc1N1CCN(CCCNc2ncccc2C(=O)N(C)C)CC1
Show InChI InChI=1S/C22H30FN5O2/c1-26(2)22(29)18-6-4-9-24-21(18)25-10-5-11-27-12-14-28(15-13-27)19-8-7-17(23)16-20(19)30-3/h4,6-9,16H,5,10-15H2,1-3H3,(H,24,25)
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316n/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