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PubMed code 1433172

Compile data set for download or QSAR
Found 18 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))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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n/an/a 41n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C receptor in pig choroid plexus using [3H]-mesulergine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/a 49n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50003037
PNG
(2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12
Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C receptor in pig choroid plexus using [3H]-mesulergine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50003038
PNG
(CHEMBL26427 | Dimethyl-[2-(3-methyl-3,7,8,9-tetrah...)
Show SMILES CN(C)CCc1cn(C)c2ccc3OCCCc3c12
Show InChI InChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C receptor in pig choroid plexus using [3H]-mesulergine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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n/an/a 110n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50003036
PNG
(CHEMBL412876 | Dimethyl-[2-(3,7,8,9-tetrahydro-pyr...)
Show SMILES CN(C)CCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C15H20N2O/c1-17(2)8-7-11-10-16-13-5-6-14-12(15(11)13)4-3-9-18-14/h5-6,10,16H,3-4,7-9H2,1-2H3
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n/an/a 150n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C receptor in pig choroid plexus using [3H]-mesulergine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50003036
PNG
(CHEMBL412876 | Dimethyl-[2-(3,7,8,9-tetrahydro-pyr...)
Show SMILES CN(C)CCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C15H20N2O/c1-17(2)8-7-11-10-16-13-5-6-14-12(15(11)13)4-3-9-18-14/h5-6,10,16H,3-4,7-9H2,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM30707
PNG
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)
Show SMILES COc1ccc2[nH]cc(CCN(C)C)c2c1
Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
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n/an/a 250n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards 5-hydroxytryptamine 1C receptor using [3H]-mesulergine as radioligand


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


(Rattus norvegicus (rat))
BDBM50003039
PNG
(2-(3,7,8,9-Tetrahydro-pyrano[3,2-e]indol-1-yl)-eth...)
Show SMILES NCCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C13H16N2O/c14-6-5-9-8-15-11-3-4-12-10(13(9)11)2-1-7-16-12/h3-4,8,15H,1-2,5-7,14H2
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n/an/a 610n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50003040
PNG
(CHEMBL122860 | Dimethyl-[2-(1,6,7,8-tetrahydro-pyr...)
Show SMILES CN(C)CCc1c[nH]c2cc3CCCOc3cc12
Show InChI InChI=1S/C15H20N2O/c1-17(2)6-5-12-10-16-14-8-11-4-3-7-18-15(11)9-13(12)14/h8-10,16H,3-7H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand


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


(Rattus norvegicus (rat))
BDBM50003040
PNG
(CHEMBL122860 | Dimethyl-[2-(1,6,7,8-tetrahydro-pyr...)
Show SMILES CN(C)CCc1c[nH]c2cc3CCCOc3cc12
Show InChI InChI=1S/C15H20N2O/c1-17(2)6-5-12-10-16-14-8-11-4-3-7-18-15(11)9-13(12)14/h8-10,16H,3-7H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003036
PNG
(CHEMBL412876 | Dimethyl-[2-(3,7,8,9-tetrahydro-pyr...)
Show SMILES CN(C)CCc1c[nH]c2ccc3OCCCc3c12
Show InChI InChI=1S/C15H20N2O/c1-17(2)8-7-11-10-16-13-5-6-14-12(15(11)13)4-3-9-18-14/h5-6,10,16H,3-4,7-9H2,1-2H3
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n/an/a 1.90E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50003040
PNG
(CHEMBL122860 | Dimethyl-[2-(1,6,7,8-tetrahydro-pyr...)
Show SMILES CN(C)CCc1c[nH]c2cc3CCCOc3cc12
Show InChI InChI=1S/C15H20N2O/c1-17(2)6-5-12-10-16-14-8-11-4-3-7-18-15(11)9-13(12)14/h8-10,16H,3-7H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1C receptor in pig choroid plexus using [3H]-mesulergine as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50003037
PNG
(2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12
Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand


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


(Rattus norvegicus (rat))
BDBM50003037
PNG
(2-(3-Methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-...)
Show SMILES Cn1cc(CCN)c2c3CCCOc3ccc12
Show InChI InChI=1S/C14H18N2O/c1-16-9-10(6-7-15)14-11-3-2-8-17-13(11)5-4-12(14)16/h4-5,9H,2-3,6-8,15H2,1H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand


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


(Rattus norvegicus (rat))
BDBM50003038
PNG
(CHEMBL26427 | Dimethyl-[2-(3-methyl-3,7,8,9-tetrah...)
Show SMILES CN(C)CCc1cn(C)c2ccc3OCCCc3c12
Show InChI InChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H]-8-OH-DPAT as radioligand


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50003038
PNG
(CHEMBL26427 | Dimethyl-[2-(3-methyl-3,7,8,9-tetrah...)
Show SMILES CN(C)CCc1cn(C)c2ccc3OCCCc3c12
Show InChI InChI=1S/C16H22N2O/c1-17(2)9-8-12-11-18(3)14-6-7-15-13(16(12)14)5-4-10-19-15/h6-7,11H,4-5,8-10H2,1-3H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Pfizer, Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity towards 5-hydroxytryptamine 1D receptor in bovine caudate using [3H]- serotonin as radioligand


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