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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50037394   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50167871
PNG
(3-Chloro-4-{4-[5-(4-methyl-pyrimidin-2-yl)-3,4-dih...)
Show SMILES Cc1ccnc(n1)C1=CN(CCCCN2C(Cl)=COc3ccccc3C2=O)CCC1
Show InChI InChI=1S/C23H25ClN4O2/c1-17-10-11-25-22(26-17)18-7-6-13-27(15-18)12-4-5-14-28-21(24)16-30-20-9-3-2-8-19(20)23(28)29/h2-3,8-11,15-16H,4-7,12-14H2,1H3
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n/an/a 0.185n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50097341
PNG
(3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-buty...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H25ClN4O2/c23-20-17-29-19-8-2-1-7-18(19)22(28)27(20)12-6-5-11-25-13-15-26(16-14-25)21-9-3-4-10-24-21/h1-4,7-10,17H,5-6,11-16H2
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n/an/a 0.770n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50167872
PNG
(3-Chloro-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyr...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(=CC1)c1ncccn1
Show InChI InChI=1S/C22H23ClN4O2/c23-20-16-29-19-7-2-1-6-18(19)22(28)27(20)13-4-3-12-26-14-8-17(9-15-26)21-24-10-5-11-25-21/h1-2,5-8,10-11,16H,3-4,9,12-15H2
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n/an/a 1.38n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50097343
PNG
(3-Chloro-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-bu...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H24ClN5O2/c22-19-16-29-18-7-2-1-6-17(18)20(28)27(19)11-4-3-10-25-12-14-26(15-13-25)21-23-8-5-9-24-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 1.59n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50167869
PNG
(3-Chloro-4-[4-(4-pyrimidin-2-yl-piperidin-1-yl)-bu...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(CC1)c1ncccn1
Show InChI InChI=1S/C22H25ClN4O2/c23-20-16-29-19-7-2-1-6-18(19)22(28)27(20)13-4-3-12-26-14-8-17(9-15-26)21-24-10-5-11-25-21/h1-2,5-7,10-11,16-17H,3-4,8-9,12-15H2
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n/an/a 5.81n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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n/an/a 11n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50097341
PNG
(3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-buty...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H25ClN4O2/c23-20-17-29-19-8-2-1-7-18(19)22(28)27(20)12-6-5-11-25-13-15-26(16-14-25)21-9-3-4-10-24-21/h1-4,7-10,17H,5-6,11-16H2
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n/an/a 51n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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n/an/a 55n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50167870
PNG
(3-Chloro-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyr...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCC=C(C1)c1ncccn1
Show InChI InChI=1S/C22H23ClN4O2/c23-20-16-29-19-9-2-1-8-18(19)22(28)27(20)14-4-3-12-26-13-5-7-17(15-26)21-24-10-6-11-25-21/h1-2,6-11,16H,3-5,12-15H2
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n/an/a 79.6n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50097343
PNG
(3-Chloro-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-bu...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H24ClN5O2/c22-19-16-29-18-7-2-1-6-17(18)20(28)27(19)11-4-3-10-25-12-14-26(15-13-25)21-23-8-5-9-24-21/h1-2,5-9,16H,3-4,10-15H2
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n/an/a 199n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50167874
PNG
(3-Chloro-4-[4-(3-pyrimidin-2-yl-piperidin-1-yl)-bu...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCCC(C1)c1ncccn1
Show InChI InChI=1S/C22H25ClN4O2/c23-20-16-29-19-9-2-1-8-18(19)22(28)27(20)14-4-3-12-26-13-5-7-17(15-26)21-24-10-6-11-25-21/h1-2,6,8-11,16-17H,3-5,7,12-15H2
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n/an/a 324n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50167872
PNG
(3-Chloro-4-[4-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyr...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(=CC1)c1ncccn1
Show InChI InChI=1S/C22H23ClN4O2/c23-20-16-29-19-7-2-1-6-18(19)22(28)27(20)13-4-3-12-26-14-8-17(9-15-26)21-24-10-5-11-25-21/h1-2,5-8,10-11,16H,3-4,9,12-15H2
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n/an/a 494n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50167871
PNG
(3-Chloro-4-{4-[5-(4-methyl-pyrimidin-2-yl)-3,4-dih...)
Show SMILES Cc1ccnc(n1)C1=CN(CCCCN2C(Cl)=COc3ccccc3C2=O)CCC1
Show InChI InChI=1S/C23H25ClN4O2/c1-17-10-11-25-22(26-17)18-7-6-13-27(15-18)12-4-5-14-28-21(24)16-30-20-9-3-2-8-19(20)23(28)29/h2-3,8-11,15-16H,4-7,12-14H2,1H3
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n/an/a 763n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50167870
PNG
(3-Chloro-4-[4-(5-pyrimidin-2-yl-3,6-dihydro-2H-pyr...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCC=C(C1)c1ncccn1
Show InChI InChI=1S/C22H23ClN4O2/c23-20-16-29-19-9-2-1-8-18(19)22(28)27(20)14-4-3-12-26-13-5-7-17(15-26)21-24-10-6-11-25-21/h1-2,6-11,16H,3-5,12-15H2
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n/an/a 893n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50167869
PNG
(3-Chloro-4-[4-(4-pyrimidin-2-yl-piperidin-1-yl)-bu...)
Show SMILES ClC1=COc2ccccc2C(=O)N1CCCCN1CCC(CC1)c1ncccn1
Show InChI InChI=1S/C22H25ClN4O2/c23-20-16-29-19-7-2-1-6-18(19)22(28)27(20)13-4-3-12-26-14-8-17(9-15-26)21-24-10-5-11-25-21/h1-2,5-7,10-11,16-17H,3-4,8-9,12-15H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dopamine receptor D2 in rat striatum membrane using [3H]raclopride as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50167873
PNG
(3-Chloro-4-[4-(4-hydroxy-4-pyrimidin-2-yl-piperidi...)
Show SMILES OC1(CCN(CCCCN2C(Cl)=COc3ccccc3C2=O)CC1)c1ncccn1
Show InChI InChI=1S/C22H25ClN4O3/c23-19-16-30-18-7-2-1-6-17(18)20(28)27(19)13-4-3-12-26-14-8-22(29,9-15-26)21-24-10-5-11-25-21/h1-2,5-7,10-11,16,29H,3-4,8-9,12-15H2
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n/an/a 2.65E+3n/an/an/an/an/an/a



Daiichi Suntory Biomedical Research Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-hydroxytryptamine 1A receptor in rat hippocampus membrane using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 15: 2990-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.059
BindingDB Entry DOI: 10.7270/Q21Z456V
More data for this
Ligand-Target Pair