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Compile Data Set for Download or QSAR

Found 545 hits with Last Name = 'chidester' and Initial = 'cg'   
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 (5-HT1A)


(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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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)


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)


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 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 (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)


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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0.200n/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)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
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)


BindingDB Entry DOI: 10.7270/Q29S1Q3R
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
Muscarinic acetylcholine receptor


(RAT)
BDBM50229368
PNG
(CHEMBL77793)
Show SMILES Cc1nccn1CC#CCN1CCCC1=O
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0.300n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
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)


BindingDB Entry DOI: 10.7270/Q2833SPR
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)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
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)


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)


BindingDB Entry DOI: 10.7270/Q29S1Q3R
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)


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)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
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)


BindingDB Entry DOI: 10.7270/Q2NC6085
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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0.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
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)


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


(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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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
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
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)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
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)


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 |t:13|
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)


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




J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004734
PNG
(CHEMBL310852 | N-Methyl-N-(1-methyl-4-pyrrolidin-1...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(C)=O
Show InChI InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
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0.860n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50009300
PNG
(CHEMBL11081 | N-Methyl-N-(4-pyrrolidin-1-yl-but-2-...)
Show SMILES CN(CC#CCN1CCCC1)C(C)=O
Show InChI InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3
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0.920n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
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 |t:13|
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)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
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)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
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 |r|
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)


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)


BindingDB Entry DOI: 10.7270/Q2NC6085
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)


BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50005856
PNG
(1-(4-Dimethylamino-but-2-ynyl)-pyrrolidin-2-one | ...)
Show SMILES CN(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C10H16N2O/c1-11(2)7-3-4-8-12-9-5-6-10(12)13/h5-9H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50004726
PNG
(1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O
Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3
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1.10n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
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)


BindingDB Entry DOI: 10.7270/Q29S1Q3R
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229392
PNG
(CHEMBL306366)
Show SMILES O=C1CCCN1CC#CCn1ccnc1
PDB

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1.30n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
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)


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)


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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Upjohn Laboratories

Curated by ChEMBL




J Med Chem 36: 1301-15 (1993)


BindingDB Entry DOI: 10.7270/Q2TD9Z06
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50228614
PNG
(CHEMBL51405)
Show SMILES CC1CCC(=O)N1CC#CCN1CCCC1
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1.5n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
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)


BindingDB Entry DOI: 10.7270/Q2NC6085
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229345
PNG
(CHEMBL76067)
Show SMILES COC(=O)N(C)C(C)C#CCN1CCCC1
PDB

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



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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1.60n/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: 1069-83 (1993)


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


(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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1.60n/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)


BindingDB Entry DOI: 10.7270/Q2NC6085
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229396
PNG
(CHEMBL306376)
Show SMILES CC(C#CCn1ccnc1C)N(C)C(C)=O
PDB

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1.60n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(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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1.60n/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 in bovine hippocampus


J Med Chem 36: 1053-68 (1993)


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


(Homo sapiens (Human))
BDBM50034354
PNG
((R)-5-Dipropylamino-5,6-dihydro-1H,4H-imidazo[4,5,...)
Show SMILES CCCN(CCC)[C@@H]1Cc2cccc3[nH]c(=O)n(C1)c23
Show InChI InChI=1S/C16H23N3O/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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1.70n/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
Muscarinic acetylcholine receptor


(RAT)
BDBM50229359
PNG
(CHEMBL75111)
Show SMILES CC1CCC(=O)N1CC#CCn1cncc1C
PDB

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1.70n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50046615
PNG
((1-Allyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2...)
Show SMILES CCCN[C@@H]1CCc2cccc(OC)c2[C@@H]1CC=C
Show InChI InChI=1S/C17H25NO/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,1,5,7,10-12H2,2-3H3/t14-,15-/m1/s1
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1.80n/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)


BindingDB Entry DOI: 10.7270/Q2NC6085
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
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 |r|
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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1.80n/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 (5-HT1A)


(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




J Med Chem 36: 2208-18 (1993)


BindingDB Entry DOI: 10.7270/Q27D2T69
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(RAT)
BDBM50229375
PNG
(CHEMBL77636)
Show SMILES CN(CC#CCn1ccnc1)C(C)=O
PDB

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1.90n/an/an/an/an/an/an/an/a



Upjohn Company

Curated by ChEMBL




J Med Chem 34: 2314-27 (1991)


BindingDB Entry DOI: 10.7270/Q2057J5V
More data for this
Ligand-Target Pair
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