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Compile Data Set for Download or QSAR

Found 1526 hits with Last Name = 'smith' and Initial = 'mw'   
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))		BDBM50369022
PNG
(CHEMBL1788197)
Show SMILES CCCN(CCCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 |r|
Show InChI InChI=1S/C25H30N2O/c1-2-14-27(15-6-9-19-7-4-3-5-8-19)22-12-10-20-11-13-24-25(23(20)16-22)21(18-28)17-26-24/h3-5,7-8,11,13,17-18,22,26H,2,6,9-10,12,14-16H2,1H3/t22-/m1/s1
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<0.0200n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50035336
PNG
(8-(Phenethyl-propyl-amino)-6,7,8,9-tetrahydro-3H-b...)
Show SMILES CCCN(CCc1ccccc1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C24H28N2O/c1-2-13-26(14-12-18-6-4-3-5-7-18)21-10-8-19-9-11-23-24(22(19)15-21)20(17-27)16-25-23/h3-7,9,11,16-17,21,25H,2,8,10,12-15H2,1H3
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 0.0400n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50035342
PNG
(8-Pyrrolidin-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]in...)
Show SMILES O=Cc1c[nH]c2ccc3CCC(Cc3c12)N1CCCC1
Show InChI InChI=1S/C17H20N2O/c20-11-13-10-18-16-6-4-12-3-5-14(9-15(12)17(13)16)19-7-1-2-8-19/h4,6,10-11,14,18H,1-3,5,7-9H2
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 0.0700n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50040175
PNG
(3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-...)
Show SMILES CCCN1CCC2[C@H]1CCc1cccc(O)c21
Show InChI InChI=1S/C15H21NO/c1-2-9-16-10-8-12-13(16)7-6-11-4-3-5-14(17)15(11)12/h3-5,12-13,17H,2,6-10H2,1H3/t12?,13-/m1/s1
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Upjohn Laboratories

Curated by ChEMBL


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

J Med Chem 36: 1053-68 (1993)


BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50035363
PNG
(8-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-6,7,8,9-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C22H26N2OS/c1-2-10-24(11-9-19-4-3-12-26-19)18-7-5-16-6-8-21-22(20(16)13-18)17(15-25)14-23-21/h3-4,6,8,12,14-15,18,23H,2,5,7,9-11,13H2,1H3
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 0.100n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		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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Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.

J Med Chem 36: 2066-74 (1993)


BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)		BDBM50001119
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
Show InChI InChI=1S/C25H25N5O3/c26-13-17-12-20-21(28-17)6-7-22-23(20)33-19(15-32-22)14-29-10-8-25(9-11-29)24(31)27-16-30(25)18-4-2-1-3-5-18/h1-7,12,19,28H,8-11,14-16H2,(H,27,31)
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 0.100n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards opioid receptor from rat whole brain using [3H]etorpine (33.2 Ci/mmol,0.2nanoM)as radioligand

J Med Chem 35: 3058-66 (1992)


BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		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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Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at 5-hydroxytryptamine 1A receptor in bovine hippocampal preparation using [3H]8-OH-DPAT

J Med Chem 36: 2066-74 (1993)


BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50001118
PNG
(8-(7,8-Dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]nap...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]ccc4c3O2)CC1
Show InChI InChI=1S/C24H26N4O3/c29-23-24(28(16-26-23)17-4-2-1-3-5-17)9-12-27(13-10-24)14-18-15-30-21-7-6-20-19(8-11-25-20)22(21)31-18/h1-8,11,18,25H,9-10,12-16H2,(H,26,29)
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 0.200n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/m...

J Med Chem 35: 3058-66 (1992)


BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001117
PNG
(8-[(3-Phenyl-propylamino)-methyl]-7,8-dihydro-3H-6...)
Show SMILES COC(=O)c1cc2c3OC(CNCCCc4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C22H24N2O4/c1-26-22(25)19-12-17-18(24-19)9-10-20-21(17)28-16(14-27-20)13-23-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,16,23-24H,5,8,11,13-14H2,1H3
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 0.200n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


BindingDB Entry DOI: 10.7270/Q21835G5
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


(Homo sapiens (Human))		BDBM50034330
PNG
((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Show SMILES COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1
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Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand

J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50034327
PNG
((3aR,9bS) 9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahyd...)
Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(OC)c21
Show InChI InChI=1S/C16H23NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h4-6,13-14H,3,7-11H2,1-2H3/t13-,14-/m1/s1
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Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand

J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50369020
PNG
(CHEMBL1788200)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]ccc3c2C1 |r|
Show InChI InChI=1S/C26H37N3O2/c1-4-13-28(14-5-6-15-29-24(30)17-26(2,3)18-25(29)31)20-9-7-19-8-10-23-21(11-12-27-23)22(19)16-20/h8,10-12,20,27H,4-7,9,13-18H2,1-3H3/t20-/m1/s1
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Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
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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Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
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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Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
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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Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50368641
PNG
(CHEMBL1744088)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
Show InChI InChI=1S/C27H36N4O2/c1-4-11-30(12-5-6-13-31-25(32)16-27(2,3)17-26(31)33)21-9-7-19-8-10-24-23(22(19)15-21)14-20(18-28)29-24/h8,10,14,21,29H,4-7,9,11-13,15-17H2,1-3H3/t21-/m1/s1
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Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.

J Med Chem 36: 2066-74 (1993)


BindingDB Entry DOI: 10.7270/Q2HX1D9Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50034342
PNG
((3aR,9bS) 3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...)
Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(O)c21
Show InChI InChI=1S/C15H21NO/c1-2-9-16-10-8-12-13(16)7-6-11-4-3-5-14(17)15(11)12/h3-5,12-13,17H,2,6-10H2,1H3/t12-,13-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor, expressed in cloned CHO cells.

Bioorg Med Chem Lett 7: 2759-2764 (1997)


Article DOI: 10.1016/S0960-894X(97)10068-3
BindingDB Entry DOI: 10.7270/Q2F47P56
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))		BDBM50054764
PNG
((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...)
Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+
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University of Groningen

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor beta expressed in CHO-K1 cells.

J Med Chem 39: 4717-26 (1997)


Article DOI: 10.1021/jm9604890
BindingDB Entry DOI: 10.7270/Q2R210GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))		BDBM50040177
PNG
(3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo...)
Show SMILES COc1cccc2CC[C@@H]3C(CCN3CC=C)c12
Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13?,14-/m1/s1
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 0.200n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells

J Med Chem 36: 1053-68 (1993)


BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50040176
PNG
(9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...)
Show SMILES CCCN1CCC2[C@H]1CCc1cccc(OC)c21
Show InChI InChI=1S/C16H23NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h4-6,13-14H,3,7-11H2,1-2H3/t13?,14-/m1/s1
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 0.200n/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 bovine hippocampus

J Med Chem 36: 1053-68 (1993)


BindingDB Entry DOI: 10.7270/Q29S1Q3R
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



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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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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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))		BDBM50035366
PNG
(8-Azepan-1-yl-6,7,8,9-tetrahydro-3H-benzo[e]indole...)
Show SMILES O=Cc1c[nH]c2ccc3CCC(Cc3c12)N1CCCCCC1
Show InChI InChI=1S/C19H24N2O/c22-13-15-12-20-18-8-6-14-5-7-16(11-17(14)19(15)18)21-9-3-1-2-4-10-21/h6,8,12-13,16,20H,1-5,7,9-11H2
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 0.240n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50034346
PNG
((3aS,9aR) 1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo...)
Show SMILES Oc1cccc2C[C@@H]3[C@H](CCN3CC=C)Cc12
Show InChI InChI=1S/C15H19NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h2-5,12,14,17H,1,6-10H2/t12-,14-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligand

J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
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


(Homo sapiens (Human))		BDBM50034348
PNG
((2aR,8bR)-2-Allyl-1,2,2a,3,4,8b-hexahydro-naphtho[...)
Show SMILES Oc1cccc2CC[C@@H]3[C@@H](CN3CC=C)c12
Show InChI InChI=1S/C14H17NO/c1-2-8-15-9-11-12(15)7-6-10-4-3-5-13(16)14(10)11/h2-5,11-12,16H,1,6-9H2/t11-,12-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand

J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))		BDBM50054764
PNG
((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...)
Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+
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 0.300n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.

J Med Chem 39: 4717-26 (1997)


Article DOI: 10.1021/jm9604890
BindingDB Entry DOI: 10.7270/Q2R210GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001113
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES NC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H27N5O4/c26-23(31)20-12-18-19(28-20)6-7-21-22(18)34-17(14-33-21)13-29-10-8-25(9-11-29)24(32)27-15-30(25)16-4-2-1-3-5-16/h1-7,12,17,28H,8-11,13-15H2,(H2,26,31)(H,27,32)
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 0.300n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


BindingDB Entry DOI: 10.7270/Q21835G5
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50034360
PNG
((3aR,9bS)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo...)
Show SMILES Oc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
Show InChI InChI=1S/C15H19NO/c1-2-9-16-10-8-12-13(16)7-6-11-4-3-5-14(17)15(11)12/h2-5,12-13,17H,1,6-10H2/t12-,13-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells

J Med Chem 36: 1053-68 (1993)


BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50035347
PNG
(8-(Allyl-propyl-amino)-6,7,8,9-tetrahydro-3H-benzo...)
Show SMILES CCCN(CC=C)C1CCc2ccc3[nH]cc(C=O)c3c2C1
Show InChI InChI=1S/C19H24N2O/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/h3,6,8,12-13,16,20H,1,4-5,7,9-11H2,2H3
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 0.300n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A receptor expressed in CHO cells, by using [3H]8-OH-DPAT as radioligand.

J Med Chem 38: 2217-30 (1995)


BindingDB Entry DOI: 10.7270/Q28G8MBW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50034360
PNG
((3aR,9bS)-3-Allyl-2,3,3a,4,5,9b-hexahydro-1H-benzo...)
Show SMILES Oc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
Show InChI InChI=1S/C15H19NO/c1-2-9-16-10-8-12-13(16)7-6-11-4-3-5-14(17)15(11)12/h2-5,12-13,17H,1,6-10H2/t12-,13-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor from bovine hippocampus, used [3H]8-OH-DPAT as radioligand

J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50036452
PNG
(1-((3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-b...)
Show SMILES CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(C)=O)c21
Show InChI InChI=1S/C17H23NO/c1-3-10-18-11-9-15-16(18)8-7-13-5-4-6-14(12(2)19)17(13)15/h4-6,15-16H,3,7-11H2,1-2H3/t15-,16-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro displacement of radioactively labeled ligand [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor site in CHO cells

J Med Chem 38: 725-34 (1995)


BindingDB Entry DOI: 10.7270/Q20Z72B7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50368635
PNG
(CHEMBL1744035)
Show SMILES CCCN(CCC)[C@H]1CCc2ccc3[nH]c(cc3c2C1)C#N |r|
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-/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-hydroxytryptamine 1A receptor of bovine hippocampus.

J Med Chem 36: 2066-74 (1993)


BindingDB Entry DOI: 10.7270/Q2HX1D9Z
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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 0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor, expressed in cloned CHO cells.

Bioorg Med Chem Lett 7: 2759-2764 (1997)


Article DOI: 10.1016/S0960-894X(97)10068-3
BindingDB Entry DOI: 10.7270/Q2F47P56
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50056445
PNG
(1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroerg...)
Show SMILES CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34 |c:23|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
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 0.400n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT.

J Med Chem 40: 639-46 (1997)


Article DOI: 10.1021/jm960360q
BindingDB Entry DOI: 10.7270/Q29P30R9
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))		BDBM50034330
PNG
((3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydr...)
Show SMILES COc1cccc2CC[C@@H]3[C@@H](CCN3CC=C)c12
Show InChI InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1
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 0.400n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in cloned CHO cells

J Med Chem 36: 1053-68 (1993)


BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001118
PNG
(8-(7,8-Dihydro-3H-6,9-dioxa-3-aza-cyclopenta[a]nap...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]ccc4c3O2)CC1
Show InChI InChI=1S/C24H26N4O3/c29-23-24(28(16-26-23)17-4-2-1-3-5-17)9-12-27(13-10-24)14-18-15-30-21-7-6-20-19(8-11-25-20)22(21)31-18/h1-8,11,18,25H,9-10,12-16H2,(H,26,29)
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 0.400n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


BindingDB Entry DOI: 10.7270/Q21835G5
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
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50047138
PNG
(CHEMBL25074 | N-(5-Chloro-7-methyl-4,6,6a,7,8,9,10...)
Show SMILES CN1C[C@H](CC2[C@H]1Cc1c(Cl)[nH]c3cccc2c13)NC(=O)C(C)(C)C
Show InChI InChI=1S/C20H26ClN3O/c1-20(2,3)19(25)22-11-8-13-12-6-5-7-15-17(12)14(18(21)23-15)9-16(13)24(4)10-11/h5-7,11,13,16,23H,8-10H2,1-4H3,(H,22,25)/t11-,13?,16+/m0/s1
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 0.470n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for antagonistic activity against D2 receptor from rat striatum, used [3H]raclopride as radioligand

J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
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



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vitro displacement of radioactively labeled ligand [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor site in CHO cells

J Med Chem 38: 725-34 (1995)


BindingDB Entry DOI: 10.7270/Q20Z72B7
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
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50034352
PNG
((3aS,9aR) 1-Propyl-2,3,3a,4,9,9a-hexahydro-1H-benz...)
Show SMILES CCCN1CC[C@@H]2Cc3c(O)cccc3C[C@@H]12
Show InChI InChI=1S/C15H21NO/c1-2-7-16-8-6-12-9-13-11(10-14(12)16)4-3-5-15(13)17/h3-5,12,14,17H,2,6-10H2,1H3/t12-,14-/m1/s1
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 0.5n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for agonistic activity against D2 receptor from cloned CHO cells, used [3H]U-86170 as radioligand

J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001119
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccc4[nH]c(cc4c3O2)C#N)CC1
Show InChI InChI=1S/C25H25N5O3/c26-13-17-12-20-21(28-17)6-7-22-23(20)33-19(15-32-22)14-29-10-8-25(9-11-29)24(31)27-16-30(25)18-4-2-1-3-5-18/h1-7,12,19,28H,8-11,14-16H2,(H,27,31)
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 0.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-hydroxytryptamine 1A receptor expressed in CHO cell membranes

J Med Chem 35: 3058-66 (1992)


BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
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