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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for monomerid = 50005132   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50005132
PNG
(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
Show InChI InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
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Article
PubMed
n/an/a 114n/an/an/an/an/an/a



ArQule Inc

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT in human CYP3A4 assay


Bioorg Med Chem Lett 14: 1709-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.045
BindingDB Entry DOI: 10.7270/Q2ZW1KB5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A/1B/1D/1F


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50005132
PNG
(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
Show InChI InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
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n/an/a 670n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured using radioligand [3H]5-HT


J Med Chem 29: 1476-82 (1986)


BindingDB Entry DOI: 10.7270/Q2319WGB
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50005132
PNG
(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
Show InChI InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]spiperone binding to dopamine receptor from rat corpus striatal membranes


J Med Chem 26: 194-203 (1983)


BindingDB Entry DOI: 10.7270/Q2G73GXD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50005132
PNG
(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
Show InChI InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity at Dopamine receptor D2 in rat corpus striatum by displacing [3H]-spiperone.


J Med Chem 29: 1476-82 (1986)


BindingDB Entry DOI: 10.7270/Q2319WGB
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50005132
PNG
(4,4-Dimethyl-1-[4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2ncccn2)C(=O)C1
Show InChI InChI=1S/C19H29N5O2/c1-19(2)14-16(25)24(17(26)15-19)9-4-3-8-22-10-12-23(13-11-22)18-20-6-5-7-21-18/h5-7H,3-4,8-15H2,1-2H3
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n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]WB-4101 binding to alpha-1-adrenergic receptor from rat cerebral cortex membranes


J Med Chem 26: 194-203 (1983)


BindingDB Entry DOI: 10.7270/Q2G73GXD
More data for this
Ligand-Target Pair