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Compile Data Set for Download or QSAR

Found 513 hits with Last Name = 'lahti' and Initial = 'ra'   
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
Opioid receptor


(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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50040175
PNG
(3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-...)
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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0.100n/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)


Article DOI: 10.1021/jm00060a014
BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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0.100n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50040176
PNG
(9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benz...)
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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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)


Article DOI: 10.1021/jm00060a014
BindingDB Entry DOI: 10.7270/Q29S1Q3R
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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(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)


Article DOI: 10.1021/jm00060a014
BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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0.200n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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0.200n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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)


Article DOI: 10.1021/jm00060a014
BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
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
Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells


J Med Chem 36: 1069-83 (1993)


Article DOI: 10.1021/jm00060a015
BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5HT1A)


(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)


Article DOI: 10.1021/jm00060a014
BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) 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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
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
Binding affinity against [3H]U-86,170-labeled dopamine receptor D2 in cloned CHO cells


J Med Chem 36: 1069-83 (1993)


Article DOI: 10.1021/jm00060a015
BindingDB Entry DOI: 10.7270/Q2833SPR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50046613
PNG
(8-Allyl-7-propylamino-5,6,7,8-tetrahydro-naphthale...)
Show SMILES CCCN[C@@H]1CCc2cccc(O)c2[C@@H]1CC=C
Show InChI InChI=1S/C16H23NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3,5,7-8,13-14,17-18H,1,4,6,9-11H2,2H3/t13-,14-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vivo binding affinity towards [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus.


J Med Chem 36: 671-82 (1993)


Article DOI: 10.1021/jm00058a003
BindingDB Entry DOI: 10.7270/Q2NC6085
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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001112
PNG
(8-(2-Hydroxymethyl-7,8-dihydro-3H-6,9-dioxa-3-aza-...)
Show SMILES OCc1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C25H28N4O4/c30-14-17-12-20-21(27-17)6-7-22-23(20)33-19(15-32-22)13-28-10-8-25(9-11-28)24(31)26-16-29(25)18-4-2-1-3-5-18/h1-7,12,19,27,30H,8-11,13-16H2,(H,26,31)
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0.600n/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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001116
PNG
(8-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperi...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC(CC4)n4c5ccccc5[nH]c4=O)COc3ccc2[nH]1
Show InChI InChI=1S/C25H26N4O5/c1-32-24(30)20-12-17-18(26-20)6-7-22-23(17)34-16(14-33-22)13-28-10-8-15(9-11-28)29-21-5-3-2-4-19(21)27-25(29)31/h2-7,12,15-16,26H,8-11,13-14H2,1H3,(H,27,31)
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0.600n/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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Opioid receptor


(Rattus norvegicus (rat)-RAT)
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)
PDB
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0.600n/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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
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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0.600n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor from rat whole brain using [3H]prazosin (18.1 Ci/mmol,0.9nanoM)as radioligand


J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50047145
PNG
((Recemic)5-Dipropylamino-5,6-dihydro-1H,4H-imidazo...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=S)n(C1)c23
Show InChI InChI=1S/C16H23N3S/c1-3-8-18(9-4-2)13-10-12-6-5-7-14-15(12)19(11-13)16(20)17-14/h5-7,13H,3-4,8-11H2,1-2H3,(H,17,20)/t13-/m1/s1
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0.600n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50017519
PNG
(1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H28N4O/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/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
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0.700n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50047146
PNG
(CHEMBL25013 | N-(5,7-Dimethyl-4,6,6a,7,8,9,10,10a-...)
Show SMILES CN1C[C@H](CC2[C@H]1Cc1c(C)[nH]c3cccc2c13)NC(=O)C(C)(C)C
Show InChI InChI=1S/C21H29N3O/c1-12-15-10-18-16(14-7-6-8-17(22-12)19(14)15)9-13(11-24(18)5)23-20(25)21(2,3)4/h6-8,13,16,18,22H,9-11H2,1-5H3,(H,23,25)/t13-,16?,18+/m0/s1
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0.740n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50047135
PNG
((Terguride)1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10...)
Show SMILES CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](CC3=CCc4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H29N3O/c1-4-24(5-2)21(25)22-16-12-18-17-8-6-7-14-9-10-15(20(14)17)11-19(18)23(3)13-16/h6-8,10,16,18-19H,4-5,9,11-13H2,1-3H3,(H,22,25)/t16-,18-,19-/m1/s1
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0.800n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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0.800n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001114
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES COC(=O)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C26H28N4O5/c1-33-24(31)21-13-19-20(28-21)7-8-22-23(19)35-18(15-34-22)14-29-11-9-26(10-12-29)25(32)27-16-30(26)17-5-3-2-4-6-17/h2-8,13,18,28H,9-12,14-16H2,1H3,(H,27,32)
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0.900n/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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
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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0.900n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
D(2) 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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0.900n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50047135
PNG
((Terguride)1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10...)
Show SMILES CCN(CC)C(=O)N[C@@H]1C[C@H]2[C@@H](CC3=CCc4cccc2c34)N(C)C1
Show InChI InChI=1S/C21H29N3O/c1-4-24(5-2)21(25)22-16-12-18-17-8-6-7-14-9-10-15(20(14)17)11-19(18)23(3)13-16/h6-8,10,16,18-19H,4-5,9,11-13H2,1-3H3,(H,22,25)/t16-,18-,19-/m1/s1
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0.950n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50046598
PNG
(8-Allyl-7-allylamino-5,6,7,8-tetrahydro-naphthalen...)
Show SMILES Oc1cccc2CC[C@@H](NCC=C)[C@@H](CC=C)c12
Show InChI InChI=1S/C16H21NO/c1-3-6-13-14(17-11-4-2)10-9-12-7-5-8-15(18)16(12)13/h3-5,7-8,13-14,17-18H,1-2,6,9-11H2/t13-,14-/m1/s1
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1n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vivo binding affinity towards [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus.


J Med Chem 36: 671-82 (1993)


Article DOI: 10.1021/jm00058a003
BindingDB Entry DOI: 10.7270/Q2NC6085
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50017543
PNG
((6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,...)
Show SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3cccc2c13
Show InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
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1n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001110
PNG
(8-(4-Oxo-1-phenyl-1,3,8-triaza-spiro[4.5]dec-8-ylm...)
Show SMILES O=C(OCc1ccccc1)c1cc2c3OC(CN4CCC5(CC4)N(CNC5=O)c4ccccc4)COc3ccc2[nH]1
Show InChI InChI=1S/C32H32N4O5/c37-30(40-19-22-7-3-1-4-8-22)27-17-25-26(34-27)11-12-28-29(25)41-24(20-39-28)18-35-15-13-32(14-16-35)31(38)33-21-36(32)23-9-5-2-6-10-23/h1-12,17,24,34H,13-16,18-21H2,(H,33,38)
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1n/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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50047137
PNG
((2 alpha-methyl) 9-Methoxy-2-methyl-3-propyl-2,3,3...)
Show SMILES CCCN1[C@@H](C)C[C@@H]2[C@H]1CCc1cccc(OC)c21
Show InChI InChI=1S/C17H25NO/c1-4-10-18-12(2)11-14-15(18)9-8-13-6-5-7-16(19-3)17(13)14/h5-7,12,14-15H,4,8-11H2,1-3H3/t12-,14+,15+/m0/s1
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1n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50040171
PNG
(9-Methoxy-2-methyl-3-propyl-2,3,3a,4,5,9b-hexahydr...)
Show SMILES CCCN1[C@@H](C)CC2[C@H]1CCc1cccc(OC)c21
Show InChI InChI=1S/C17H25NO/c1-4-10-18-12(2)11-14-15(18)9-8-13-6-5-7-16(19-3)17(13)14/h5-7,12,14-15H,4,8-11H2,1-3H3/t12-,14?,15+/m0/s1
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1n/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)


Article DOI: 10.1021/jm00060a014
BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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1.20n/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)


Article DOI: 10.1021/jm00060a014
BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50001111
PNG
(8-(4-Ethoxycarbonyl-piperidin-1-ylmethyl)-7,8-dihy...)
Show SMILES CCOC(=O)C1CCN(CC2COc3ccc4[nH]c(cc4c3O2)C(=O)OC)CC1
Show InChI InChI=1S/C21H26N2O6/c1-3-27-20(24)13-6-8-23(9-7-13)11-14-12-28-18-5-4-16-15(19(18)29-14)10-17(22-16)21(25)26-2/h4-5,10,13-14,22H,3,6-9,11-12H2,1-2H3
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1.20n/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)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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1.30n/an/an/an/an/an/an/an/a



Maryland Psychiatric Research Center

Curated by PDSP Ki Database




Eur J Pharmacol 236: 483-6 (1993)


Article DOI: 10.1016/j.bioorg.2015.02.005
BindingDB Entry DOI: 10.7270/Q25Q4TKG
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50051562
PNG
(1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-p...)
Show SMILES COc1ccc(cc1)N1CCN(CCC2OCCc3ccccc23)CC1
Show InChI InChI=1S/C22H28N2O2/c1-25-20-8-6-19(7-9-20)24-15-13-23(14-16-24)12-10-22-21-5-3-2-4-18(21)11-17-26-22/h2-9,22H,10-17H2,1H3
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1.40n/an/an/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Binding affinity of [3H]-Spiperone towards Dopamine receptor D4 expressed in cultured cells or from rat whole brain.


J Med Chem 39: 2435-7 (1996)


Article DOI: 10.1021/jm960084f
BindingDB Entry DOI: 10.7270/Q2H1314Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50047136
PNG
((Recemic)1-Allyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[...)
Show SMILES Oc1cccc2C[C@@H]3C(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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1.40n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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1.40n/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)


Article DOI: 10.1021/jm00062a001
BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50040173
PNG
(3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-...)
Show SMILES CCCN1CCC2C1CCc1cccc(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
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1.40n/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)


Article DOI: 10.1021/jm00060a014
BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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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1.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL


Assay Description
Binding affinity towards Dopamine receptor D2 from mammalian clones expressed in CHO cell membranes using 2 (86.1 Ci/mmol,1.7nanoM)as radioligand


J Med Chem 35: 3058-66 (1992)


Article DOI: 10.1021/jm00094a021
BindingDB Entry DOI: 10.7270/Q21835G5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50046596
PNG
(Allyl-(1-allyl-8-methoxy-1,2,3,4-tetrahydro-naphth...)
Show SMILES COc1cccc2CC[C@@H](NCC=C)[C@@H](CC=C)c12
Show InChI InChI=1S/C17H23NO/c1-4-7-14-15(18-12-5-2)11-10-13-8-6-9-16(19-3)17(13)14/h4-6,8-9,14-15,18H,1-2,7,10-12H2,3H3/t14-,15-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


Assay Description
In vivo binding affinity towards [3H]-8-OH-DPAT-labeled 5-hydroxytryptamine 1A receptor sites in bovine hippocampus.


J Med Chem 36: 671-82 (1993)


Article DOI: 10.1021/jm00058a003
BindingDB Entry DOI: 10.7270/Q2NC6085
More data for this
Ligand-Target Pair
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