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PubMed code 1317922

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma


(HUMAN)
BDBM50421905
PNG
(CHEMBL553265)
Show SMILES C1CCC(CC1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C19H27N/c1-2-7-17(8-3-1)20-13-12-19-16(14-20)11-10-15-6-4-5-9-18(15)19/h4-6,9,16-17,19H,1-3,7-8,10-14H2/t16-,19+/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421907
PNG
(CHEMBL540274)
Show SMILES C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C21H25N/c1-2-6-17(7-3-1)12-14-22-15-13-21-19(16-22)11-10-18-8-4-5-9-20(18)21/h1-9,19,21H,10-16H2/t19-,21+/m0/s1
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n/an/a 0.320n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421906
PNG
(CHEMBL544281)
Show SMILES CC(C)=CCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C18H25N/c1-14(2)9-11-19-12-10-18-16(13-19)8-7-15-5-3-4-6-17(15)18/h3-6,9,16,18H,7-8,10-13H2,1-2H3/t16-,18+/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421895
PNG
(CHEMBL555890)
Show SMILES C1CCC(CC1)N1CCC2C(C1)CCCc1ccccc21
Show InChI InChI=1S/C20H29N/c1-2-10-18(11-3-1)21-14-13-20-17(15-21)9-6-8-16-7-4-5-12-19(16)20/h4-5,7,12,17-18,20H,1-3,6,8-11,13-15H2
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421903
PNG
(CHEMBL545212)
Show SMILES C=CCCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C17H23N/c1-2-3-11-18-12-10-17-15(13-18)9-8-14-6-4-5-7-16(14)17/h2,4-7,15,17H,1,3,8-13H2/t15-,17+/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421913
PNG
(CHEMBL545682)
Show SMILES C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-2-6-16(7-3-1)14-21-13-12-20-18(15-21)11-10-17-8-4-5-9-19(17)20/h1-9,18,20H,10-15H2/t18-,20+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421899
PNG
(CHEMBL545688)
Show SMILES CCCCN1CCC2=C(Cc3ccccc23)C1
Show InChI InChI=1S/C16H21N/c1-2-3-9-17-10-8-16-14(12-17)11-13-6-4-5-7-15(13)16/h4-7H,2-3,8-12H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421926
PNG
(CHEMBL541052)
Show SMILES COc1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1
Show InChI InChI=1S/C21H25NO/c1-23-19-10-6-16(7-11-19)14-22-13-12-21-18(15-22)9-8-17-4-2-3-5-20(17)21/h2-7,10-11,18,21H,8-9,12-15H2,1H3/t18-,21+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421915
PNG
(CHEMBL544748)
Show SMILES CCCCN1CC[C@@H]2[C@@H](CCc3c(C)cc(C)cc23)C1
Show InChI InChI=1S/C19H29N/c1-4-5-9-20-10-8-18-16(13-20)6-7-17-15(3)11-14(2)12-19(17)18/h11-12,16,18H,4-10,13H2,1-3H3/t16-,18+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421894
PNG
(CHEMBL555581)
Show SMILES CCCCN1CCC2C(C1)CCCc1ccccc21
Show InChI InChI=1S/C18H27N/c1-2-3-12-19-13-11-18-16(14-19)9-6-8-15-7-4-5-10-17(15)18/h4-5,7,10,16,18H,2-3,6,8-9,11-14H2,1H3
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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421929
PNG
(CHEMBL544987)
Show SMILES C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
Show InChI InChI=1S/C23H31N/c1-2-4-21-17(3-1)5-6-18-14-24(8-7-22(18)21)23-19-10-15-9-16(12-19)13-20(23)11-15/h1-4,15-16,18-20,22-23H,5-14H2/t15-,16+,18-,19-,20+,22+,23?/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421904
PNG
(CHEMBL553561)
Show SMILES C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C23H31N/c1-2-4-21-19(3-1)5-6-20-15-24(8-7-22(20)21)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20,22H,5-15H2/t16-,17+,18-,20-,22+,23?/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421914
PNG
(CHEMBL543810)
Show SMILES C(C1CC1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C17H23N/c1-2-4-16-14(3-1)7-8-15-12-18(10-9-17(15)16)11-13-5-6-13/h1-4,13,15,17H,5-12H2/t15-,17+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421920
PNG
(CHEMBL555401)
Show SMILES CCCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C16H23N/c1-2-10-17-11-9-16-14(12-17)8-7-13-5-3-4-6-15(13)16/h3-6,14,16H,2,7-12H2,1H3/t14-,16+/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421917
PNG
(CHEMBL2093874)
Show SMILES CCCCN1CC[C@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C17H25N/c1-2-3-11-18-12-10-17-15(13-18)9-8-14-6-4-5-7-16(14)17/h4-7,15,17H,2-3,8-13H2,1H3/t15-,17-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421912
PNG
(CHEMBL545447)
Show SMILES [O-][N+](=O)c1ccc(CCN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1
Show InChI InChI=1S/C21H24N2O2/c24-23(25)19-9-5-16(6-10-19)11-13-22-14-12-21-18(15-22)8-7-17-3-1-2-4-20(17)21/h1-6,9-10,18,21H,7-8,11-15H2/t18-,21+/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421900
PNG
(CHEMBL545217)
Show SMILES CCCCN1CCC2=C(C1)CCCc1ccccc21
Show InChI InChI=1S/C18H25N/c1-2-3-12-19-13-11-18-16(14-19)9-6-8-15-7-4-5-10-17(15)18/h4-5,7,10H,2-3,6,8-9,11-14H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421901
PNG
(CHEMBL539260)
Show SMILES C(CN1CC[C@@H]2[C@@H](CCc3ccccc23)C1)Cc1ccccc1
Show InChI InChI=1S/C22H27N/c1-2-7-18(8-3-1)9-6-15-23-16-14-22-20(17-23)13-12-19-10-4-5-11-21(19)22/h1-5,7-8,10-11,20,22H,6,9,12-17H2/t20-,22+/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421918
PNG
(CHEMBL543101)
Show SMILES C=CCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C16H21N/c1-2-10-17-11-9-16-14(12-17)8-7-13-5-3-4-6-15(13)16/h2-6,14,16H,1,7-12H2/t14-,16+/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421898
PNG
(CHEMBL555398)
Show SMILES Clc1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1
Show InChI InChI=1S/C20H22ClN/c21-18-9-5-15(6-10-18)13-22-12-11-20-17(14-22)8-7-16-3-1-2-4-19(16)20/h1-6,9-10,17,20H,7-8,11-14H2/t17-,20+/m0/s1
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n/an/a 4.70n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421922
PNG
(CHEMBL544282)
Show SMILES CCCCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C17H25N/c1-2-3-11-18-12-10-17-15(13-18)9-8-14-6-4-5-7-16(14)17/h4-7,15,17H,2-3,8-13H2,1H3/t15-,17+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421897
PNG
(CHEMBL545689)
Show SMILES C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccco1
Show InChI InChI=1S/C18H21NO/c1-2-6-17-14(4-1)7-8-15-12-19(10-9-18(15)17)13-16-5-3-11-20-16/h1-6,11,15,18H,7-10,12-13H2/t15-,18+/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421908
PNG
(CHEMBL554388)
Show SMILES C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1cccs1
Show InChI InChI=1S/C18H21NS/c1-2-6-17-14(4-1)7-8-15-12-19(10-9-18(15)17)13-16-5-3-11-20-16/h1-6,11,15,18H,7-10,12-13H2/t15-,18+/m0/s1
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n/an/a 7.10n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50155606
PNG
(3-Butyl-1,2,3,4,5,6-hexahydro-benzo[f]isoquinoline...)
Show SMILES CCCCN1CCC2=C(CCc3ccccc23)C1
Show InChI InChI=1S/C17H23N/c1-2-3-11-18-12-10-17-15(13-18)9-8-14-6-4-5-7-16(14)17/h4-7H,2-3,8-13H2,1H3
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n/an/a 7.60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421923
PNG
(CHEMBL544747)
Show SMILES [O-][N+](=O)c1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1
Show InChI InChI=1S/C20H22N2O2/c23-22(24)18-9-5-15(6-10-18)13-21-12-11-20-17(14-21)8-7-16-3-1-2-4-19(16)20/h1-6,9-10,17,20H,7-8,11-14H2/t17-,20+/m0/s1
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n/an/a 8.70n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421919
PNG
(CHEMBL545687)
Show SMILES CCCCN1CCC2C(Cc3ccccc23)C1
Show InChI InChI=1S/C16H23N/c1-2-3-9-17-10-8-16-14(12-17)11-13-6-4-5-7-15(13)16/h4-7,14,16H,2-3,8-12H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50155605
PNG
(3-Phenethyl-1,2,3,4,5,6-hexahydro-benzo[f]isoquino...)
Show SMILES C(Cc1ccccc1)N1CCC2=C(CCc3ccccc23)C1
Show InChI InChI=1S/C21H23N/c1-2-6-17(7-3-1)12-14-22-15-13-21-19(16-22)11-10-18-8-4-5-9-20(18)21/h1-9H,10-16H2
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n/an/a 17n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421910
PNG
(CHEMBL542140)
Show SMILES C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccccn1
Show InChI InChI=1S/C19H22N2/c1-2-7-18-15(5-1)8-9-16-13-21(12-10-19(16)18)14-17-6-3-4-11-20-17/h1-7,11,16,19H,8-10,12-14H2/t16-,19+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50155604
PNG
(3-Propyl-1,2,3,4,5,6-hexahydro-benzo[f]isoquinolin...)
Show SMILES CCCN1CCC2=C(CCc3ccccc23)C1
Show InChI InChI=1S/C16H21N/c1-2-10-17-11-9-16-14(12-17)8-7-13-5-3-4-6-15(13)16/h3-6H,2,7-12H2,1H3
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n/an/a 21n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421926
PNG
(CHEMBL541052)
Show SMILES COc1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1
Show InChI InChI=1S/C21H25NO/c1-23-19-10-6-16(7-11-19)14-22-13-12-21-18(15-22)9-8-17-4-2-3-5-20(17)21/h2-7,10-11,18,21H,8-9,12-15H2,1H3/t18-,21+/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421899
PNG
(CHEMBL545688)
Show SMILES CCCCN1CCC2=C(Cc3ccccc23)C1
Show InChI InChI=1S/C16H21N/c1-2-3-9-17-10-8-16-14(12-17)11-13-6-4-5-7-15(13)16/h4-7H,2-3,8-12H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421900
PNG
(CHEMBL545217)
Show SMILES CCCCN1CCC2=C(C1)CCCc1ccccc21
Show InChI InChI=1S/C18H25N/c1-2-3-12-19-13-11-18-16(14-19)9-6-8-15-7-4-5-10-17(15)18/h4-5,7,10H,2-3,6,8-9,11-14H2,1H3
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n/an/a 62n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50155606
PNG
(3-Butyl-1,2,3,4,5,6-hexahydro-benzo[f]isoquinoline...)
Show SMILES CCCCN1CCC2=C(CCc3ccccc23)C1
Show InChI InChI=1S/C17H23N/c1-2-3-11-18-12-10-17-15(13-18)9-8-14-6-4-5-7-16(14)17/h4-7H,2-3,8-13H2,1H3
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n/an/a 63n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421916
PNG
(CHEMBL542387)
Show SMILES C(N1CC[C@@H]2[C@@H](CCc3ccccc23)C1)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H25N/c1-2-7-21-15-18(9-10-19(21)5-1)16-25-14-13-24-22(17-25)12-11-20-6-3-4-8-23(20)24/h1-10,15,22,24H,11-14,16-17H2/t22-,24+/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421924
PNG
(CHEMBL544280)
Show SMILES CC(C)(C)c1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1
Show InChI InChI=1S/C24H31N/c1-24(2,3)21-12-8-18(9-13-21)16-25-15-14-23-20(17-25)11-10-19-6-4-5-7-22(19)23/h4-9,12-13,20,23H,10-11,14-17H2,1-3H3/t20-,23+/m0/s1
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n/an/a 98n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421922
PNG
(CHEMBL544282)
Show SMILES CCCCN1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C17H25N/c1-2-3-11-18-12-10-17-15(13-18)9-8-14-6-4-5-7-16(14)17/h4-7,15,17H,2-3,8-13H2,1H3/t15-,17+/m0/s1
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n/an/a 145n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421907
PNG
(CHEMBL540274)
Show SMILES C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C21H25N/c1-2-6-17(7-3-1)12-14-22-15-13-21-19(16-22)11-10-18-8-4-5-9-20(18)21/h1-9,19,21H,10-16H2/t19-,21+/m0/s1
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n/an/a 162n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421894
PNG
(CHEMBL555581)
Show SMILES CCCCN1CCC2C(C1)CCCc1ccccc21
Show InChI InChI=1S/C18H27N/c1-2-3-12-19-13-11-18-16(14-19)9-6-8-15-7-4-5-10-17(15)18/h4-5,7,10,16,18H,2-3,6,8-9,11-14H2,1H3
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n/an/a 166n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421924
PNG
(CHEMBL544280)
Show SMILES CC(C)(C)c1ccc(CN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1
Show InChI InChI=1S/C24H31N/c1-24(2,3)21-12-8-18(9-13-21)16-25-15-14-23-20(17-25)11-10-19-6-4-5-7-22(19)23/h4-9,12-13,20,23H,10-11,14-17H2,1-3H3/t20-,23+/m0/s1
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n/an/a 288n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421927
PNG
(CHEMBL545448)
Show SMILES CN1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C14H19N/c1-15-9-8-14-12(10-15)7-6-11-4-2-3-5-13(11)14/h2-5,12,14H,6-10H2,1H3/t12-,14+/m0/s1
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n/an/a 339n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421909
PNG
(CHEMBL2093875)
Show SMILES COc1ccc2CC[C@H]3CN(C)CC[C@@H]3c2c1
Show InChI InChI=1S/C15H21NO/c1-16-8-7-14-12(10-16)4-3-11-5-6-13(17-2)9-15(11)14/h5-6,9,12,14H,3-4,7-8,10H2,1-2H3/t12-,14-/m0/s1
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n/an/a 339n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421917
PNG
(CHEMBL2093874)
Show SMILES CCCCN1CC[C@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C17H25N/c1-2-3-11-18-12-10-17-15(13-18)9-8-14-6-4-5-7-16(14)17/h4-7,15,17H,2-3,8-13H2,1H3/t15-,17-/m0/s1
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n/an/a 389n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421921
PNG
(CHEMBL2093876)
Show SMILES CN1CC[C@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C14H19N/c1-15-9-8-14-12(10-15)7-6-11-4-2-3-5-13(11)14/h2-5,12,14H,6-10H2,1H3/t12-,14-/m0/s1
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n/an/a 447n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421912
PNG
(CHEMBL545447)
Show SMILES [O-][N+](=O)c1ccc(CCN2CC[C@@H]3[C@@H](CCc4ccccc34)C2)cc1
Show InChI InChI=1S/C21H24N2O2/c24-23(25)19-9-5-16(6-10-19)11-13-22-14-12-21-18(15-22)8-7-17-3-1-2-4-20(17)21/h1-6,9-10,18,21H,7-8,11-15H2/t18-,21+/m0/s1
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n/an/a 589n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421928
PNG
(CHEMBL555418)
Show SMILES COc1ccc2CC[C@H]3CN(C)CC[C@H]3c2c1
Show InChI InChI=1S/C15H21NO/c1-16-8-7-14-12(10-16)4-3-11-5-6-13(17-2)9-15(11)14/h5-6,9,12,14H,3-4,7-8,10H2,1-2H3/t12-,14+/m0/s1
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n/an/a 1.18E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421905
PNG
(CHEMBL553265)
Show SMILES C1CCC(CC1)N1CC[C@@H]2[C@@H](CCc3ccccc23)C1
Show InChI InChI=1S/C19H27N/c1-2-7-17(8-3-1)20-13-12-19-16(14-20)11-10-15-6-4-5-9-18(15)19/h4-6,9,16-17,19H,1-3,7-8,10-14H2/t16-,19+/m0/s1
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n/an/a 2.69E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


Citation and Details
More data for this
Ligand-Target Pair
Sigma


(HUMAN)
BDBM50421896
PNG
(CHEMBL539504)
Show SMILES COc1ccc2CCC3=C(CCN(C)C3)c2c1
Show InChI InChI=1S/C15H19NO/c1-16-8-7-14-12(10-16)4-3-11-5-6-13(17-2)9-15(11)14/h5-6,9H,3-4,7-8,10H2,1-2H3
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n/an/a 3.47E+3n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro for the binding affinity against sigma receptor by using [3H]DTG as radioligand in guinea pig cerebellum


Citation and Details
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50421904
PNG
(CHEMBL553561)
Show SMILES C1CN(C[C@@H]2CCc3ccccc3[C@H]12)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C23H31N/c1-2-4-21-19(3-1)5-6-20-15-24(8-7-22(20)21)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18,20,22H,5-15H2/t16-,17+,18-,20-,22+,23?/m0/s1
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n/an/a<1.00E+4n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-sulpiride binding to rat striatum dopamine receptor D2


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