BindingDB logo
myBDB logout

BDBM50041961 ((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine::(+)-(5-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine::(1S,2R)-(5-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine::(5-Methoxy-1-methyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-dipropyl-amine::CHEMBL278751::UH-232

SMILES: CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C

InChI Key: InChIKey=BTOJYCTUJJHANF-WMLDXEAASA-N

Data: 19 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50041961   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
4n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding towards Dopamine receptor D3 expressed in CHO-K1 cells using [3H]spiperone


J Med Chem 36: 3188-96 (1993)


BindingDB Entry DOI: 10.7270/Q2VH5MWJ
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured at cloned mammalian dopamine D3 receptor expressed in CHO-K1 cells (using [3H]- spiperone)


Bioorg Med Chem Lett 4: 689-694 (1994)


Article DOI: 10.1016/S0960-894X(01)80181-5
BindingDB Entry DOI: 10.7270/Q2SX6D5J
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
4.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of [3H]-U-86,170 binding to Dopamine receptor D3, expressed in cloned CHO cells


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


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


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against human Dopamine receptor D3 in Chinese hamster ovary cells using [3H]spiperone.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ34VM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
13n/an/an/an/an/an/an/an/a



Upjohn Laboratories

Curated by ChEMBL


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


J Med Chem 36: 1301-15 (1993)


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


(BOVINE)
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
13n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding affinity for sigma receptor using 2 nM of [3H]-DTG as radioligand, in membranes from brain minus cerebellum


J Med Chem 36: 3188-96 (1993)


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


(Rattus norvegicus (rat))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of [3H]-raclopride binding to Dopamine receptor D2 in rat striatum


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


Article DOI: 10.1016/S0960-894X(97)10068-3
BindingDB Entry DOI: 10.7270/Q2F47P56
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured at cloned mammalian dopamine D2 receptor expressed in CHO-K1 cells (using [3H]-U-86,170)


Bioorg Med Chem Lett 4: 689-694 (1994)


Article DOI: 10.1016/S0960-894X(01)80181-5
BindingDB Entry DOI: 10.7270/Q2SX6D5J
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
18n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


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


J Med Chem 36: 3188-96 (1993)


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


(Rattus norvegicus (rat))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
22n/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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibition of [3H]-spiperone binding to Dopamine receptor D4, expressed in cloned CHO cells


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


Article DOI: 10.1016/S0960-894X(97)10068-3
BindingDB Entry DOI: 10.7270/Q2F47P56
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured at cloned mammalian dopamine D4 receptor expressed in CHO-K1 cells (using [3H]- spiperone)


Bioorg Med Chem Lett 4: 689-694 (1994)


Article DOI: 10.1016/S0960-894X(01)80181-5
BindingDB Entry DOI: 10.7270/Q2SX6D5J
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
48n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


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


J Med Chem 36: 3188-96 (1993)


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


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

63n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against human Dopamine receptor D2 in mouse LtK- cells using [3H]spiperone.


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VQ34VM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
70n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


Assay Description
Binding towards Dopamine receptor D3 expressed in CHO-K1 cells using [3H]spiperone


J Med Chem 36: 3188-96 (1993)


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


(Rattus norvegicus (rat))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
100n/an/an/an/an/an/an/an/a



University of Göteborg

Curated by ChEMBL


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


J Med Chem 36: 3188-96 (1993)


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


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
168n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


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


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


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
168n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound was measured at cloned mammalian 5-HT1A receptor expressed in CHO-K1 cells (using [3H]-8-OH-DPAT )


Bioorg Med Chem Lett 4: 689-694 (1994)


Article DOI: 10.1016/S0960-894X(01)80181-5
BindingDB Entry DOI: 10.7270/Q2SX6D5J
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50041961
PNG
(((1S,2R)-5-Methoxy-1-methyl-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C
Show InChI InChI=1S/C18H29NO/c1-5-12-19(13-6-2)17-11-10-16-15(14(17)3)8-7-9-18(16)20-4/h7-9,14,17H,5-6,10-13H2,1-4H3/t14-,17+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
228n/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