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BDBM87036 (R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)methyl)morpholine::(S)-2-((S)-(4-chloro-2-methoxyphenoxy)(phenyl)methyl)morpholine::CAS_11638552::CAS_25009937::CAS_44449794::NSC_11638552::NSC_25009937::NSC_44449794::rac-syn-2-((4-chloro-2-methoxyphenoxy)(phenyl)methyl)morpholine

SMILES: COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1

InChI Key: InChIKey=PVISFTMIHRDVDS-UHFFFAOYSA-N

Data: 14 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 14 hits for monomerid = 87036   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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PubMed
8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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26n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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36n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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59n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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PubMed
85n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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PubMed
110n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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320n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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PubMed
420n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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PubMed
1.57E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
NCI pathway
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PubMed
1.79E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1S/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
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5.05E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair