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PubMed code 1676427

Compile data set for download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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))
BDBM50007558
PNG
(6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc2s1
Show InChI InChI=1S/C23H23N3OS/c27-23-24-20-9-8-17(16-22(20)28-23)10-11-25-12-14-26(15-13-25)21-7-3-5-18-4-1-2-6-19(18)21/h1-9,16H,10-15H2,(H,24,27)
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n/an/a 2.20n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007563
PNG
(1-Ethyl-5-[2-(4-naphthalen-1-yl-piperazin-1-yl)-et...)
Show SMILES CCN1C(=O)Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc12
Show InChI InChI=1S/C26H29N3O/c1-2-29-24-11-10-20(18-22(24)19-26(29)30)12-13-27-14-16-28(17-15-27)25-9-5-7-21-6-3-4-8-23(21)25/h3-11,18H,2,12-17,19H2,1H3
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a 3.10n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated In vitro for its activity by binding to Dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007559
PNG
(5-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-1,3...)
Show SMILES O=C1Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc2N1
Show InChI InChI=1S/C24H25N3O/c28-24-17-20-16-18(8-9-22(20)25-24)10-11-26-12-14-27(15-13-26)23-7-3-5-19-4-1-2-6-21(19)23/h1-9,16H,10-15,17H2,(H,25,28)
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n/an/a 4.87n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007556
PNG
(6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc2o1
Show InChI InChI=1S/C23H23N3O2/c27-23-24-20-9-8-17(16-22(20)28-23)10-11-25-12-14-26(15-13-25)21-7-3-5-18-4-1-2-6-19(18)21/h1-9,16H,10-15H2,(H,24,27)
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n/an/a 6.20n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007557
PNG
(3,3-Dimethyl-5-[2-(4-naphthalen-1-yl-piperazin-1-y...)
Show SMILES CC1(C)C(=O)Nc2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H29N3O/c1-26(2)22-18-19(10-11-23(22)27-25(26)30)12-13-28-14-16-29(17-15-28)24-9-5-7-20-6-3-4-8-21(20)24/h3-11,18H,12-17H2,1-2H3,(H,27,30)
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n/an/a 6.90n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50007562
PNG
(4-{4-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-...)
Show SMILES Nc1nc(cs1)-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C25H26N4S/c26-25-27-23(18-30-25)21-10-8-19(9-11-21)12-13-28-14-16-29(17-15-28)24-7-3-5-20-4-1-2-6-22(20)24/h1-11,18H,12-17H2,(H2,26,27)
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n/an/a 11n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007559
PNG
(5-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-1,3...)
Show SMILES O=C1Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc2N1
Show InChI InChI=1S/C24H25N3O/c28-24-17-20-16-18(8-9-22(20)25-24)10-11-26-12-14-27(15-13-26)23-7-3-5-19-4-1-2-6-21(19)23/h1-9,16H,10-15,17H2,(H,25,28)
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n/an/a 38n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007556
PNG
(6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc2o1
Show InChI InChI=1S/C23H23N3O2/c27-23-24-20-9-8-17(16-22(20)28-23)10-11-25-12-14-26(15-13-25)21-7-3-5-18-4-1-2-6-19(18)21/h1-9,16H,10-15H2,(H,24,27)
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n/an/a 44n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007562
PNG
(4-{4-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-...)
Show SMILES Nc1nc(cs1)-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C25H26N4S/c26-25-27-23(18-30-25)21-10-8-19(9-11-21)12-13-28-14-16-29(17-15-28)24-7-3-5-20-4-1-2-6-22(20)24/h1-11,18H,12-17H2,(H2,26,27)
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n/an/a 72n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007565
PNG
(4-{4-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-...)
Show SMILES O=c1[nH]c(cs1)-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C25H25N3OS/c29-25-26-23(18-30-25)21-10-8-19(9-11-21)12-13-27-14-16-28(17-15-27)24-7-3-5-20-4-1-2-6-22(20)24/h1-11,18H,12-17H2,(H,26,29)
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n/an/a 80n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007563
PNG
(1-Ethyl-5-[2-(4-naphthalen-1-yl-piperazin-1-yl)-et...)
Show SMILES CCN1C(=O)Cc2cc(CCN3CCN(CC3)c3cccc4ccccc34)ccc12
Show InChI InChI=1S/C26H29N3O/c1-2-29-24-11-10-20(18-22(24)19-26(29)30)12-13-27-14-16-28(17-15-27)25-9-5-7-21-6-3-4-8-23(21)25/h3-11,18H,2,12-17,19H2,1H3
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n/an/a 81.2n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007560
PNG
(1-Naphthalen-1-yl-4-[2-(4-[1,2,3]thiadiazol-4-yl-p...)
Show SMILES C(Cc1ccc(cc1)-c1csnn1)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H24N4S/c1-2-6-22-20(4-1)5-3-7-24(22)28-16-14-27(15-17-28)13-12-19-8-10-21(11-9-19)23-18-29-26-25-23/h1-11,18H,12-17H2
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n/an/a 83n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007557
PNG
(3,3-Dimethyl-5-[2-(4-naphthalen-1-yl-piperazin-1-y...)
Show SMILES CC1(C)C(=O)Nc2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H29N3O/c1-26(2)22-18-19(10-11-23(22)27-25(26)30)12-13-28-14-16-29(17-15-28)24-9-5-7-20-6-3-4-8-21(20)24/h3-11,18H,12-17H2,1-2H3,(H,27,30)
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n/an/a 86n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007566
PNG
(1-{2-[4-(2-Methyl-thiazol-4-yl)-phenyl]-ethyl}-4-n...)
Show SMILES Cc1nc(cs1)-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C26H27N3S/c1-20-27-25(19-30-20)23-11-9-21(10-12-23)13-14-28-15-17-29(18-16-28)26-8-4-6-22-5-2-3-7-24(22)26/h2-12,19H,13-18H2,1H3
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n/an/a 108n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007558
PNG
(6-[2-(4-Naphthalen-1-yl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3cccc4ccccc34)cc2s1
Show InChI InChI=1S/C23H23N3OS/c27-23-24-20-9-8-17(16-22(20)28-23)10-11-25-12-14-26(15-13-25)21-7-3-5-18-4-1-2-6-19(18)21/h1-9,16H,10-15H2,(H,24,27)
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n/an/a 112n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated In vitro for its activity by binding to Dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007564
PNG
(CHEMBL55806 | Methyl-(4-{4-[2-(4-naphthalen-1-yl-p...)
Show SMILES CNc1nc(cs1)-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C26H28N4S/c1-27-26-28-24(19-31-26)22-11-9-20(10-12-22)13-14-29-15-17-30(18-16-29)25-8-4-6-21-5-2-3-7-23(21)25/h2-12,19H,13-18H2,1H3,(H,27,28)
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n/an/a 155n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50007561
PNG
(5-Methyl-4-{4-[2-(4-naphthalen-1-yl-piperazin-1-yl...)
Show SMILES Cc1sc(N)nc1-c1ccc(CCN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C26H28N4S/c1-19-25(28-26(27)31-19)22-11-9-20(10-12-22)13-14-29-15-17-30(18-16-29)24-8-4-6-21-5-2-3-7-23(21)24/h2-12H,13-18H2,1H3,(H2,27,28)
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n/an/a 159n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 172n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated In vitro for its activity by binding to Dopamine receptor D2 in the rat brain using [3H]-NPA as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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n/an/a 600n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 1A receptor in the rat brain using [3H]-8-hydroxy-2-(di-n-propylamine)tetralin as radioligand.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%