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9 similar compounds to monomer 50006961

Compile data set for download or QSAR
Wt: 298.3
BDBM114215
Purchase
Wt: 389.4
BDBM50006950
Wt: 298.3
BDBM50006956
Wt: 314.3
BDBM50006957
Wt: 300.3
BDBM50006960
Wt: 313.3
BDBM50006962
Wt: 314.3
BDBM50006963
Wt: 312.3
BDBM50006964
Wt: 286.3
BDBM50006965

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 114215,50006950,50006956,50006957,50006960,50006962,50006963,50006964,50006965   
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))
BDBM50006950
PNG
(2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-4,9-dihydro-...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N5O2/c28-21-20-19(17-8-4-5-9-18(17)23-20)24-22(29)27(21)15-12-25-10-13-26(14-11-25)16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,29)
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PubMed
1.80n/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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006956
PNG
(2-(2-Pyrrolidin-1-yl-ethyl)-4,9-dihydro-2,4,9-tria...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCCC1
Show InChI InChI=1S/C16H18N4O2/c21-15-14-13(11-5-1-2-6-12(11)17-14)18-16(22)20(15)10-9-19-7-3-4-8-19/h1-2,5-6,17H,3-4,7-10H2,(H,18,22)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006963
PNG
(2-(2-Morpholin-4-yl-ethyl)-4,9-dihydro-2,4,9-triaz...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCOCC1
Show InChI InChI=1S/C16H18N4O3/c21-15-14-13(11-3-1-2-4-12(11)17-14)18-16(22)20(15)6-5-19-7-9-23-10-8-19/h1-4,17H,5-10H2,(H,18,22)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [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))
BDBM50006950
PNG
(2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-4,9-dihydro-...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N5O2/c28-21-20-19(17-8-4-5-9-18(17)23-20)24-22(29)27(21)15-12-25-10-13-26(14-11-25)16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,29)
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>1.00E+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))
BDBM50006957
PNG
(2-(3-Diethylamino-propyl)-4,9-dihydro-2,4,9-triaza...)
Show SMILES CCN(CC)CCCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C17H22N4O2/c1-3-20(4-2)10-7-11-21-16(22)15-14(19-17(21)23)12-8-5-6-9-13(12)18-15/h5-6,8-9,18H,3-4,7,10-11H2,1-2H3,(H,19,23)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006965
PNG
(2-(3-Dimethylamino-propyl)-4,9-dihydro-2,4,9-triaz...)
Show SMILES CN(C)CCCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C15H18N4O2/c1-18(2)8-5-9-19-14(20)13-12(17-15(19)21)10-6-3-4-7-11(10)16-13/h3-4,6-7,16H,5,8-9H2,1-2H3,(H,17,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50006950
PNG
(2-[2-(4-Phenyl-piperazin-1-yl)-ethyl]-4,9-dihydro-...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H23N5O2/c28-21-20-19(17-8-4-5-9-18(17)23-20)24-22(29)27(21)15-12-25-10-13-26(14-11-25)16-6-2-1-3-7-16/h1-9,23H,10-15H2,(H,24,29)
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>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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006960
PNG
(2-(2-Diethylamino-ethyl)-4,9-dihydro-2,4,9-triaza-...)
Show SMILES CCN(CC)CCn1c(=O)[nH]c2c3ccccc3[nH]c2c1=O
Show InChI InChI=1S/C16H20N4O2/c1-3-19(4-2)9-10-20-15(21)14-13(18-16(20)22)11-7-5-6-8-12(11)17-14/h5-8,17H,3-4,9-10H2,1-2H3,(H,18,22)
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Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006962
PNG
(2-(2-Piperazin-1-yl-ethyl)-4,9-dihydro-2,4,9-triaz...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCNCC1
Show InChI InChI=1S/C16H19N5O2/c22-15-14-13(11-3-1-2-4-12(11)18-14)19-16(23)21(15)10-9-20-7-5-17-6-8-20/h1-4,17-18H,5-10H2,(H,19,23)
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>1.00E+5n/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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50006964
PNG
(2-(2-Piperidin-1-yl-ethyl)-4,9-dihydro-2,4,9-triaz...)
Show SMILES O=c1[nH]c2c3ccccc3[nH]c2c(=O)n1CCN1CCCCC1
Show InChI InChI=1S/C17H20N4O2/c22-16-15-14(12-6-2-3-7-13(12)18-15)19-17(23)21(16)11-10-20-8-4-1-5-9-20/h2-3,6-7,18H,1,4-5,8-11H2,(H,19,23)
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>1.00E+5n/an/an/an/an/an/an/an/a



Universitá di Catania

Curated by ChEMBL


Assay Description
Binding affinity measured for alpha-1 adrenergic receptor by displacement of [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
Phospholipase C, gamma 1


(Homo sapiens (Human))
BDBM114215
PNG
(3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-...)
Show SMILES O=c1n(CCN2CCOCC2)cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C16H18N4O2/c21-16-15-14(12-3-1-2-4-13(12)18-15)17-11-20(16)6-5-19-7-9-22-10-8-19/h1-4,11,18H,5-10H2
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PCBioAssay
n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
Phospholipase C-beta-3


(Homo sapiens (Human))
BDBM114215
PNG
(3-(2-morpholin-4-ylethyl)-5H-pyrimido[5,4-b]indol-...)
Show SMILES O=c1n(CCN2CCOCC2)cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C16H18N4O2/c21-16-15-14(12-3-1-2-4-13(12)18-15)17-11-20(16)6-5-19-7-9-22-10-8-19/h1-4,11,18H,5-10H2
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n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair