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Compile Data Set for Download or QSAR

Found 910 hits with Last Name = 'carlsson' and Initial = 'a'   
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


(Rattus norvegicus (rat))
BDBM50035320
PNG
((+/-)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
D(2) dopamine 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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0.200n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding towards dopamine receptor D4 expressed in CHO-K1 cells using [3H]spiperone


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035320
PNG
((+/-)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in CHO-cells (sc)


J Med Chem 36: 2059-65 (1993)


BindingDB Entry DOI: 10.7270/Q2MP52CR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))
BDBM50044238
PNG
(CHEMBL63449 | S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1
Show InChI InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-8-6-15-7-9-19-20(17(15)12-16)18(13-21-19)14(3)23/h7,9,13,16,21H,4-6,8,10-12H2,1-3H3/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in CHO-cells (sc)


J Med Chem 36: 2059-65 (1993)


BindingDB Entry DOI: 10.7270/Q2MP52CR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))
BDBM50044237
PNG
(CHEMBL65274 | R-(+)-1-(8-Dipropylamino-6,7,8,9-tet...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1
Show InChI InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-8-6-15-7-9-19-20(17(15)12-16)18(13-21-19)14(3)23/h7,9,13,16,21H,4-6,8,10-12H2,1-3H3/t16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand in CHO-cells (sc)


J Med Chem 36: 2059-65 (1993)


BindingDB Entry DOI: 10.7270/Q2MP52CR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035303
PNG
((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035335
PNG
((R)-8-Dipropylamino-4-fluoro-6,7,8,9-tetrahydro-3H...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H25FN2O/c1-3-7-22(8-4-2)15-6-5-13-9-17(20)19-18(16(13)10-15)14(12-23)11-21-19/h9,11-12,15,21H,3-8,10H2,1-2H3/t15-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
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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0.300n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Evaluated for binding towards Dopamine receptor D2 using [3H]-spiperone as radioligand, in cloned mammalian receptors expressed in CHO-K1 cells


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035326
PNG
(8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indo...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C#N)c3c2C1
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against [3H]- -8-OH-DPAT -labeled 5-hydroxytryptamine 1A sites in cloned CHO cells


J Med Chem 36: 2208-18 (1993)


BindingDB Entry DOI: 10.7270/Q27D2T69
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035319
PNG
(8-Dipropylamino-4-fluoro-6,7,8,9-tetrahydro-3H-ben...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H25FN2O/c1-3-7-22(8-4-2)15-6-5-13-9-17(20)19-18(16(13)10-15)14(12-23)11-21-19/h9,11-12,15,21H,3-8,10H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))
BDBM50016777
PNG
(((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by using [3H]-8-OH-DPAT as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035324
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
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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0.700n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Evaluated for binding towards Dopamine receptor D2 using [3H]-N-0437 as radioligand from rat striatal membrane


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair
D(2) dopamine 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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0.700n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Evaluated for binding towards Dopamine receptor D2 using [3H]-N-0437 as radioligand from rat striatal membrane


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035328
PNG
((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3/t16-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))
BDBM50034366
PNG
(CHEMBL28437 | Trifluoro-methanesulfonic acid 7-dip...)
Show SMILES CCCN(CCC)C1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C17H24F3NO3S/c1-3-10-21(11-4-2)14-9-8-13-6-5-7-16(15(13)12-14)24-25(22,23)17(18,19)20/h5-7,14H,3-4,8-12H2,1-2H3
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0.800n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by using [3H]-8-OH-DPAT as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035315
PNG
((S)-8-Dipropylamino-4-fluoro-6,7,8,9-tetrahydro-3H...)
Show SMILES CCCN(CCC)[C@H]1CCc2cc(F)c3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H25FN2O/c1-3-7-22(8-4-2)15-6-5-13-9-17(20)19-18(16(13)10-15)14(12-23)11-21-19/h9,11-12,15,21H,3-8,10H2,1-2H3/t15-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035320
PNG
((+/-)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT


J Med Chem 36: 2059-65 (1993)


BindingDB Entry DOI: 10.7270/Q2MP52CR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035320
PNG
((+/-)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


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


J Med Chem 37: 3263-73 (1994)


BindingDB Entry DOI: 10.7270/Q21R6PJ7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))
BDBM50407735
PNG
(CHEMBL2021539)
Show SMILES CCCN[C@@H]1CCc2cccc(CS(=O)(=O)C(F)(F)F)c2C1 |r|
Show InChI InChI=1S/C15H20F3NO2S/c1-2-8-19-13-7-6-11-4-3-5-12(14(11)9-13)10-22(20,21)15(16,17)18/h3-5,13,19H,2,6-10H2,1H3/t13-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by using [3H]-8-OH-DPAT as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035307
PNG
(CHEMBL302171 | Dipropyl-(S)-6,7,8,9-tetrahydro-3H-...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C18H26N2/c1-3-11-20(12-4-2)15-7-5-14-6-8-18-16(9-10-19-18)17(14)13-15/h6,8-10,15,19H,3-5,7,11-13H2,1-2H3/t15-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035304
PNG
((4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
Show InChI InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
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1.40n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035303
PNG
((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


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


J Med Chem 37: 3263-73 (1994)


BindingDB Entry DOI: 10.7270/Q21R6PJ7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50044237
PNG
(CHEMBL65274 | R-(+)-1-(8-Dipropylamino-6,7,8,9-tet...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1
Show InChI InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-8-6-15-7-9-19-20(17(15)12-16)18(13-21-19)14(3)23/h7,9,13,16,21H,4-6,8,10-12H2,1-3H3/t16-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT


J Med Chem 36: 2059-65 (1993)


BindingDB Entry DOI: 10.7270/Q2MP52CR
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50188489
PNG
((S)-2-Amino-N-((S)-1-carbamoyl-2-phenyl-ethyl)-3-p...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis


ACS Med Chem Lett 5: 1272-7 (2014)


Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50188489
PNG
((S)-2-Amino-N-((S)-1-carbamoyl-2-phenyl-ethyl)-3-p...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C18H21N3O2/c19-15(11-13-7-3-1-4-8-13)18(23)21-16(17(20)22)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12,19H2,(H2,20,22)(H,21,23)/t15-,16-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to NK1 receptor (unknown origin)


ACS Med Chem Lett 5: 1272-7 (2014)


Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035317
PNG
(((R)-4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1
Show InChI InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3/t14-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50035304
PNG
((4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
Show InChI InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
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1.60n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D3 from CHO-K1 cells, using [3H]-spiperone as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50037272
PNG
((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3/t16-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


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


J Med Chem 37: 3263-73 (1994)


BindingDB Entry DOI: 10.7270/Q21R6PJ7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035326
PNG
(8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]indo...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(C#N)c3c2C1
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


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


J Med Chem 37: 3263-73 (1994)


BindingDB Entry DOI: 10.7270/Q21R6PJ7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50036470
PNG
((3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...)
Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
Show InChI InChI=1S/C16H22N2O/c1-2-9-18-10-8-12-14(18)7-6-11-4-3-5-13(15(11)12)16(17)19/h3-5,12,14H,2,6-10H2,1H3,(H2,17,19)/t12-,14-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells


J Med Chem 36: 2208-18 (1993)


BindingDB Entry DOI: 10.7270/Q27D2T69
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50036470
PNG
((3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...)
Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
Show InChI InChI=1S/C16H22N2O/c1-2-9-18-10-8-12-14(18)7-6-11-4-3-5-13(15(11)12)16(17)19/h3-5,12,14H,2,6-10H2,1H3,(H2,17,19)/t12-,14-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against [3H]8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells


J Med Chem 36: 2208-18 (1993)


BindingDB Entry DOI: 10.7270/Q27D2T69
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035305
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H26N2O/c1-3-9-21(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(13-22)12-20-18/h6,8,12-13,16,20H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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2n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


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


J Med Chem 37: 3263-73 (1994)


BindingDB Entry DOI: 10.7270/Q21R6PJ7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035306
PNG
((1-Chloro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]cc(Cl)c3c2C1
Show InChI InChI=1S/C18H25ClN2/c1-3-9-21(10-4-2)14-7-5-13-6-8-17-18(15(13)11-14)16(19)12-20-17/h6,8,12,14,20H,3-5,7,9-11H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50044238
PNG
(CHEMBL63449 | S-(-)-1-(8-Dipropylamino-6,7,8,9-tet...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(C)=O)c3c2C1
Show InChI InChI=1S/C20H28N2O/c1-4-10-22(11-5-2)16-8-6-15-7-9-19-20(17(15)12-16)18(13-21-19)14(3)23/h7,9,13,16,21H,4-6,8,10-12H2,1-3H3/t16-/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT


J Med Chem 36: 2059-65 (1993)


BindingDB Entry DOI: 10.7270/Q2MP52CR
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50436553
PNG
(CHEMBL2396664)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([C@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17-,18-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-SP1-7 from NK1 receptor (unknown origin) by scintillation counting analysis


ACS Med Chem Lett 5: 1272-7 (2014)


Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50436553
PNG
(CHEMBL2396664)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]([C@H]1C(N)=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H23N3O2/c21-17(13-14-7-3-1-4-8-14)20(25)23-12-11-16(18(23)19(22)24)15-9-5-2-6-10-15/h1-10,16-18H,11-13,21H2,(H2,22,24)/t16-,17-,18-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to NK1 receptor (unknown origin)


ACS Med Chem Lett 5: 1272-7 (2014)


Article DOI: 10.1021/ml5002954
BindingDB Entry DOI: 10.7270/Q2Q52R7V
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
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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2.20n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding towards dopamine receptor D4 expressed in CHO-K1 cells using [3H]spiperone


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035313
PNG
(8-Dipropylamino-4-fluoro-6,7,8,9-tetrahydro-3H-ben...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]cc(C#N)c3c2C1
Show InChI InChI=1S/C19H24FN3/c1-3-7-23(8-4-2)15-6-5-13-9-17(20)19-18(16(13)10-15)14(11-21)12-22-19/h9,12,15,22H,3-8,10H2,1-2H3
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2.30n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035328
PNG
((R)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3/t16-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


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


J Med Chem 37: 3263-73 (1994)


BindingDB Entry DOI: 10.7270/Q21R6PJ7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))
BDBM50034368
PNG
(CHEMBL28313 | Trifluoro-methanesulfonic acid 7-pro...)
Show SMILES CCCNC1CCc2cccc(OS(=O)(=O)C(F)(F)F)c2C1
Show InChI InChI=1S/C14H18F3NO3S/c1-2-8-18-11-7-6-10-4-3-5-13(12(10)9-11)21-22(19,20)14(15,16)17/h3-5,11,18H,2,6-9H2,1H3
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2.80n/an/an/an/an/an/an/an/a



University of G£teborg

Curated by ChEMBL


Assay Description
In vitro binding affinity towards 5-hydroxytryptamine 1A receptor by using [3H]-8-OH-DPAT as radioligand


J Med Chem 38: 1319-29 (1995)


BindingDB Entry DOI: 10.7270/Q24F1RD6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50035304
PNG
((4-Fluoro-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl...)
Show SMILES CCCN(CCC)C1CCc2cc(F)c3[nH]ccc3c2C1
Show InChI InChI=1S/C18H25FN2/c1-3-9-21(10-4-2)14-6-5-13-11-17(19)18-15(7-8-20-18)16(13)12-14/h7-8,11,14,20H,3-6,9-10,12H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 from CHO-K1 cells, using [3H]-U-86,170 as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035324
PNG
((S)-8-Dipropylamino-6,7,8,9-tetrahydro-3H-benzo[e]...)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C#N)c3c2C1
Show InChI InChI=1S/C19H25N3/c1-3-9-22(10-4-2)16-7-5-14-6-8-18-19(17(14)11-16)15(12-20)13-21-18/h6,8,13,16,21H,3-5,7,9-11H2,1-2H3/t16-/m0/s1
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2.90n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


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


J Med Chem 37: 3263-73 (1994)


BindingDB Entry DOI: 10.7270/Q21R6PJ7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50044417
PNG
((+/-)-cis-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...)
Show SMILES CCCN1CCC2C1CCc1cccc(C(N)=O)c21
Show InChI InChI=1S/C16H22N2O/c1-2-9-18-10-8-12-14(18)7-6-11-4-3-5-13(15(11)12)16(17)19/h3-5,12,14H,2,6-10H2,1H3,(H2,17,19)
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2.90n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells


J Med Chem 36: 2208-18 (1993)


BindingDB Entry DOI: 10.7270/Q27D2T69
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50044418
PNG
(4-Fluoro-N-{2-[4-(2-hydroxymethyl-2,3-dihydro-benz...)
Show SMILES OCC1COc2c(O1)cccc2N1CCN(CCNC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H26FN3O4/c23-17-6-4-16(5-7-17)22(28)24-8-9-25-10-12-26(13-11-25)19-2-1-3-20-21(19)29-15-18(14-27)30-20/h1-7,18,27H,8-15H2,(H,24,28)
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2.90n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells


J Med Chem 36: 2208-18 (1993)


BindingDB Entry DOI: 10.7270/Q27D2T69
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50016777
PNG
(((R)-8-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT (agonist) as radioligand (sc)


J Med Chem 36: 2059-65 (1993)


BindingDB Entry DOI: 10.7270/Q2MP52CR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50035329
PNG
((+/-)-Dipropyl-(6,7,8,9-tetrahydro-3H-benzo[e]indo...)
Show SMILES CCCN(CCC)C1CCc2ccc3[nH]ccc3c2C1
Show InChI InChI=1S/C18H26N2/c1-3-11-20(12-4-2)15-7-5-14-6-8-18-16(9-10-19-18)17(14)13-15/h6,8-10,15,19H,3-5,7,11-13H2,1-2H3
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3.30n/an/an/an/an/an/an/an/a



Göteborg University

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, using [3H]-8-OH-DPAT as the radioligand.


J Med Chem 38: 2202-16 (1995)


BindingDB Entry DOI: 10.7270/Q24T6HD0
More data for this
Ligand-Target Pair
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