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12 similar compounds to monomer 50001859

Compile data set for download or QSAR
Wt: 359.4
BDBM50005132
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Wt: 383.4
BDBM50020115
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Wt: 371.4
BDBM50020144
Wt: 383.4
BDBM50057430
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Wt: 383.4
BDBM50099385
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Wt: 417.5
BDBM50142643
Wt: 415.5
BDBM50142645
Wt: 403.4
BDBM50142649
Wt: 413.5
BDBM50142634
Wt: 401.5
BDBM50142637
Wt: 399.5
BDBM50142638
Wt: 383.4
BDBM50368723
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50005132,50020115,50020144,50057430,50099385,50142643,50142645,50142649,50142634,50142637,50142638,50368723   
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))
BDBM50368723
PNG
(Metanopirone | Sediel | TANDOSPIRONE HYDROCHLORIDE...)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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0.00270n/an/an/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity by measuring displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 36: 3526-32 (1994)


Article DOI: 10.1021/jm00075a006
BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50099385
PNG
((1S,2R,6S,7R)-4-[4-(4-Pyrimidin-2-yl-piperazin-1-y...)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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7.20n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Dopamine receptor D4 was determined


Bioorg Med Chem Lett 11: 1141-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00167-6
BindingDB Entry DOI: 10.7270/Q2QJ7GJ8
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50020115
PNG
(4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4-az...)
Show SMILES O=C1C2C3CCC(C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2
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9n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue.


J Med Chem 31: 1382-92 (1988)


Article DOI: 10.1021/jm00402a023
BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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13n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057430
PNG
((1S,7R)-4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-but...)
Show SMILES O=C1C2[C@H]3CC[C@H](C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17?,18?
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25n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50057430
PNG
((1S,7R)-4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-but...)
Show SMILES O=C1C2[C@H]3CC[C@H](C3)C2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17?,18?
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25n/an/an/an/an/an/an/an/a



Yamanouchi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A receptor


J Med Chem 40: 1252-7 (1997)


Article DOI: 10.1021/jm960760d
BindingDB Entry DOI: 10.7270/Q20R9Q26
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50368723
PNG
(Metanopirone | Sediel | TANDOSPIRONE HYDROCHLORIDE...)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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28n/an/an/an/an/an/an/an/a



Asahi Chemical Industry Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for DA2 receptor


J Med Chem 36: 3526-32 (1994)


Article DOI: 10.1021/jm00075a006
BindingDB Entry DOI: 10.7270/Q2D21Z74
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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32n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus


J Med Chem 35: 2369-74 (1992)


Article DOI: 10.1021/jm00091a004
BindingDB Entry DOI: 10.7270/Q2F18XP5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50099385
PNG
((1S,2R,6S,7R)-4-[4-(4-Pyrimidin-2-yl-piperazin-1-y...)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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32n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound to 5-hydroxytryptamine 1A receptor was determined


Bioorg Med Chem Lett 11: 1141-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00167-6
BindingDB Entry DOI: 10.7270/Q2QJ7GJ8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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58n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to D2 receptor by radioligand binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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70n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain


J Med Chem 31: 1968-71 (1988)


Article DOI: 10.1021/jm00118a018
BindingDB Entry DOI: 10.7270/Q2F18XR2
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50020144
PNG
(2-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-hexa...)
Show SMILES O=C1C2CCCCC2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C20H29N5O2/c26-18-16-6-1-2-7-17(16)19(27)25(18)11-4-3-10-23-12-14-24(15-13-23)20-21-8-5-9-22-20/h5,8-9,16-17H,1-4,6-7,10-15H2
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374n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]spiperone binding to Dopamine receptor D2 from rat brain limbic tissue


J Med Chem 31: 1382-92 (1988)


Article DOI: 10.1021/jm00402a023
BindingDB Entry DOI: 10.7270/Q2PC32Z4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50099385
PNG
((1S,2R,6S,7R)-4-[4-(4-Pyrimidin-2-yl-piperazin-1-y...)
Show SMILES O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21/h3,6-7,15-18H,1-2,4-5,8-14H2/t15-,16+,17+,18-
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460n/an/an/an/an/an/an/an/a



Sumitomo Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound to Dopamine receptor D2 was determined


Bioorg Med Chem Lett 11: 1141-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00167-6
BindingDB Entry DOI: 10.7270/Q2QJ7GJ8
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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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2.40E+3n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 247: 169-73 (1988)


BindingDB Entry DOI: 10.7270/Q2ZS2V0B
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/jm00356a014
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ 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)


Article DOI: 10.1021/jm00356a014
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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)


Article DOI: 10.1021/jm00158a026
BindingDB Entry DOI: 10.7270/Q2319WGB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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n/an/an/an/a 288n/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Activity against 5HT1A receptor by Gi-[35S]GTPgammaS binding assay


J Med Chem 49: 3116-35 (2006)


Article DOI: 10.1021/jm0508641
BindingDB Entry DOI: 10.7270/Q2319VHC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50142649
PNG
(8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-...)
Show SMILES Fc1cnc(nc1)N1CCN(CCCCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H30FN5O2/c22-17-15-23-20(24-16-17)26-11-9-25(10-12-26)7-3-4-8-27-18(28)13-21(14-19(27)29)5-1-2-6-21/h15-16H,1-14H2
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n/an/a 63n/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50142645
PNG
(8-[3-Hydroxy-3-methyl-4-(4-pyrimidin-2-yl-piperazi...)
Show SMILES CC(O)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H33N5O3/c1-21(30,17-25-11-13-26(14-12-25)20-23-8-4-9-24-20)7-10-27-18(28)15-22(16-19(27)29)5-2-3-6-22/h4,8-9,30H,2-3,5-7,10-17H2,1H3
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n/an/a 1.46E+3n/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50142643
PNG
(8-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-...)
Show SMILES CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ncc(F)cn1
Show InChI InChI=1S/C22H32FN5O2/c1-17(26-9-11-27(12-10-26)21-24-15-18(23)16-25-21)5-4-8-28-19(29)13-22(14-20(28)30)6-2-3-7-22/h15-17H,2-14H2,1H3
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n/an/a 46n/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 (5-HT1A)


(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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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
Serotonin 1 (5-HT1) receptor


(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
PDB
MMDB

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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)


Article DOI: 10.1021/jm00158a026
BindingDB Entry DOI: 10.7270/Q2319WGB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50142637
PNG
(8-[3-Hydroxy-4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES OC(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O3/c27-17(16-24-10-12-25(13-11-24)20-22-7-3-8-23-20)4-9-26-18(28)14-21(15-19(26)29)5-1-2-6-21/h3,7-8,17,27H,1-2,4-6,9-16H2
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n/an/a 840n/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50142634
PNG
(8-[3,3-Dimethyl-4-(4-pyrimidin-2-yl-piperazin-1-yl...)
Show SMILES CC(C)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C23H35N5O2/c1-22(2,18-26-12-14-27(15-13-26)21-24-9-5-10-25-21)8-11-28-19(29)16-23(17-20(28)30)6-3-4-7-23/h5,9-10H,3-4,6-8,11-18H2,1-2H3
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n/an/a 710n/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 (5-HT1A)


(Homo sapiens (Human))
BDBM50142638
PNG
(8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-pentyl]-8-a...)
Show SMILES CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C22H33N5O2/c1-18(25-12-14-26(15-13-25)21-23-9-5-10-24-21)6-4-11-27-19(28)16-22(17-20(27)29)7-2-3-8-22/h5,9-10,18H,2-4,6-8,11-17H2,1H3
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n/an/a 4n/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