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3 similar compounds to monomer 50002272

Compile data set for download or QSAR
Wt: 277.3
BDBM50002200
Wt: 263.3
BDBM50002207
Wt: 281.3
BDBM50002303

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50002200,50002207,50002303   
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
Sigma


()
BDBM50002207
PNG
(1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-pip...)
Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1
Show InChI InChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma


()
BDBM50002303
PNG
(1-Cyclopropylmethyl-4-(3,4-difluoro-phenoxymethyl)...)
Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1F
Show InChI InChI=1S/C16H21F2NO/c17-15-4-3-14(9-16(15)18)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2
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2n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Sigma


()
BDBM50002200
PNG
(4-(4-Fluoro-phenoxymethyl)-1-(2-methyl-cyclopropyl...)
Show SMILES CC1CC1CN1CCC(COc2ccc(F)cc2)CC1
Show InChI InChI=1S/C17H24FNO/c1-13-10-15(13)11-19-8-6-14(7-9-19)12-20-17-4-2-16(18)3-5-17/h2-5,13-15H,6-12H2,1H3
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5n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for the mouse sigma opioid receptor


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50002207
PNG
(1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-pip...)
Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1
Show InChI InChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
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9n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50002200
PNG
(4-(4-Fluoro-phenoxymethyl)-1-(2-methyl-cyclopropyl...)
Show SMILES CC1CC1CN1CCC(COc2ccc(F)cc2)CC1
Show InChI InChI=1S/C17H24FNO/c1-13-10-15(13)11-19-8-6-14(7-9-19)12-20-17-4-2-16(18)3-5-17/h2-5,13-15H,6-12H2,1H3
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24n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Mus musculus (Mouse))
BDBM50002303
PNG
(1-Cyclopropylmethyl-4-(3,4-difluoro-phenoxymethyl)...)
Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1F
Show InChI InChI=1S/C16H21F2NO/c17-15-4-3-14(9-16(15)18)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2
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41n/an/an/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity for serotonin 5-hydroxytryptamine (5-HT) 2 receptors


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50002200
PNG
(4-(4-Fluoro-phenoxymethyl)-1-(2-methyl-cyclopropyl...)
Show SMILES CC1CC1CN1CCC(COc2ccc(F)cc2)CC1
Show InChI InChI=1S/C17H24FNO/c1-13-10-15(13)11-19-8-6-14(7-9-19)12-20-17-4-2-16(18)3-5-17/h2-5,13-15H,6-12H2,1H3
UniProtKB/SwissProt

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PubMed
n/an/a 945n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50002303
PNG
(1-Cyclopropylmethyl-4-(3,4-difluoro-phenoxymethyl)...)
Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1F
Show InChI InChI=1S/C16H21F2NO/c17-15-4-3-14(9-16(15)18)20-11-13-5-7-19(8-6-13)10-12-1-2-12/h3-4,9,12-13H,1-2,5-8,10-11H2
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n/an/a 2.84E+3n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair
Dopamine D2 receptor


(Mus musculus (Mouse))
BDBM50002207
PNG
(1-Cyclopropylmethyl-4-(4-fluoro-phenoxymethyl)-pip...)
Show SMILES Fc1ccc(OCC2CCN(CC3CC3)CC2)cc1
Show InChI InChI=1S/C16H22FNO/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
UniProtKB/SwissProt

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Article
PubMed
n/an/a 381n/an/an/an/an/an/a



Du Pont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
In vitro binding affinity towards dopamine receptor D2


J Med Chem 35: 4344-61 (1992)


Article DOI: 10.1021/jm00101a012
BindingDB Entry DOI: 10.7270/Q28P614G
More data for this
Ligand-Target Pair