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5 similar compounds to monomer 50123626

Compile data set for download or QSAR
Wt: 315.4
BDBM50054082
Wt: 329.4
BDBM50054061
Wt: 315.4
BDBM50054062
Purchase
Wt: 329.4
BDBM50054068
Wt: 331.4
BDBM50123625

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50054082,50054061,50054062,50054068,50123625   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DRD2


(CANINE)
BDBM50054062
PNG
(6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
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0.700n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 610-4 (1991)


Article DOI: 10.1038/350610a0
BindingDB Entry DOI: 10.7270/Q24T6GVD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054082
PNG
(7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
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0.75n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054082
PNG
(7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
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0.760n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50123625
PNG
((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C19H25NO2S/c1-2-10-20(11-9-16-4-3-12-23-16)15-6-7-17-14(13-15)5-8-18(21)19(17)22/h3-5,8,12,15,21-22H,2,6-7,9-11,13H2,1H3/t15-/m0/s1
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6n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity of compound for Dopamine receptor D2 using [3H]-N-0437


J Med Chem 46: 584-90 (2003)


Article DOI: 10.1021/jm020990u
BindingDB Entry DOI: 10.7270/Q2H41QS1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50054082
PNG
(7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
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22n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50054061
PNG
(((R)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCc1cccs1)[C@@H]1CCc2ccc(OC)cc2C1
Show InChI InChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m1/s1
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23n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054082
PNG
(7-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-10-20(11-9-19-4-3-12-22-19)17-7-5-15-6-8-18(21)14-16(15)13-17/h3-4,6,8,12,14,17,21H,2,5,7,9-11,13H2,1H3
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59n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D2L of CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM50123625
PNG
((S)-6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C19H25NO2S/c1-2-10-20(11-9-16-4-3-12-23-16)15-6-7-17-14(13-15)5-8-18(21)19(17)22/h3-5,8,12,15,21-22H,2,6-7,9-11,13H2,1H3/t15-/m0/s1
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110n/an/an/an/an/an/an/an/a



University Centre for Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity of compound for Dopamine receptor D1 using [3H]-SCH- 23390


J Med Chem 46: 584-90 (2003)


Article DOI: 10.1021/jm020990u
BindingDB Entry DOI: 10.7270/Q2H41QS1
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054061
PNG
(((R)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCc1cccs1)[C@@H]1CCc2ccc(OC)cc2C1
Show InChI InChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m1/s1
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113n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
DRD2


(CANINE)
BDBM50054062
PNG
(6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
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122n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 610-4 (1991)


Article DOI: 10.1038/350610a0
BindingDB Entry DOI: 10.7270/Q24T6GVD
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50054068
PNG
(((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2ccc(OC)cc2C1
Show InChI InChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m0/s1
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134n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D4.2 of CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50054068
PNG
(((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2ccc(OC)cc2C1
Show InChI InChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m0/s1
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154n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D3 expressed on CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054068
PNG
(((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2ccc(OC)cc2C1
Show InChI InChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m0/s1
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250n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]N-0437 binding on Dopamine receptor D2L of CHO K-1 cells


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054061
PNG
(((R)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCc1cccs1)[C@@H]1CCc2ccc(OC)cc2C1
Show InChI InChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m1/s1
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550n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D2L of CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(1B) dopamine receptor


(Homo sapiens (Human))
BDBM50054062
PNG
(6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
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986n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50054068
PNG
(((S)-7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)...)
Show SMILES CCCN(CCc1cccs1)[C@H]1CCc2ccc(OC)cc2C1
Show InChI InChI=1S/C20H27NOS/c1-3-11-21(12-10-20-5-4-13-23-20)18-8-6-16-7-9-19(22-2)15-17(16)14-18/h4-5,7,9,13,15,18H,3,6,8,10-12,14H2,1-2H3/t18-/m0/s1
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1.24E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity was evaluated by calculating competition for [3H]spiperone binding on Dopamine receptor D2L of CHO K-1 cells.


J Med Chem 39: 4233-7 (1996)


Article DOI: 10.1021/jm960345l
BindingDB Entry DOI: 10.7270/Q21C1XJF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50054062
PNG
(6-[Propyl-(2-thiophen-2-yl-ethyl)-amino]-5,6,7,8-t...)
Show SMILES CCCN(CCc1cccs1)C1CCc2c(O)cccc2C1
Show InChI InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3
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2.17E+3n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 614-9 (1991)


Article DOI: 10.1038/350614a0
BindingDB Entry DOI: 10.7270/Q2NV9GQR
More data for this
Ligand-Target Pair