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BDBM50309968 (exo)-N-(2-(2-fluoropropyl)octahydrocyclopenta[c]pyrrol-5-yl)-1-methyl-N-(3-(trifluoromethoxy)benzyl)-1H-imidazole-4-carboxamide::CHEMBL605540

SMILES: CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1

InChI Key: InChIKey=AZPCJFGZZMKYRM-BSUDQKQGSA-N

Data: 2 KI  3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50309968   
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
Glycine transporter 1


(Homo sapiens (Human))
BDBM50309968
PNG
((exo)-N-(2-(2-fluoropropyl)octahydrocyclopenta[c]p...)
Show SMILES CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1
Show InChI InChI=1S/C23H28F4N4O2/c1-15(24)9-30-11-17-7-19(8-18(17)12-30)31(22(32)21-13-29(2)14-28-21)10-16-4-3-5-20(6-16)33-23(25,26)27/h3-6,13-15,17-19H,7-12H2,1-2H3/t15?,17-,18+,19-
KEGG

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PC cid
PC sid
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PubMed
4.40n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells


Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50309968
PNG
((exo)-N-(2-(2-fluoropropyl)octahydrocyclopenta[c]p...)
Show SMILES CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1
Show InChI InChI=1S/C23H28F4N4O2/c1-15(24)9-30-11-17-7-19(8-18(17)12-30)31(22(32)21-13-29(2)14-28-21)10-16-4-3-5-20(6-16)33-23(25,26)27/h3-6,13-15,17-19H,7-12H2,1-2H3/t15?,17-,18+,19-
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KEGG

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PC sid
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Article
PubMed
>5.19E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Displacement of radiolabeled dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50309968
PNG
((exo)-N-(2-(2-fluoropropyl)octahydrocyclopenta[c]p...)
Show SMILES CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1
Show InChI InChI=1S/C23H28F4N4O2/c1-15(24)9-30-11-17-7-19(8-18(17)12-30)31(22(32)21-13-29(2)14-28-21)10-16-4-3-5-20(6-16)33-23(25,26)27/h3-6,13-15,17-19H,7-12H2,1-2H3/t15?,17-,18+,19-
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n/an/a 7.90E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50309968
PNG
((exo)-N-(2-(2-fluoropropyl)octahydrocyclopenta[c]p...)
Show SMILES CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1
Show InChI InChI=1S/C23H28F4N4O2/c1-15(24)9-30-11-17-7-19(8-18(17)12-30)31(22(32)21-13-29(2)14-28-21)10-16-4-3-5-20(6-16)33-23(25,26)27/h3-6,13-15,17-19H,7-12H2,1-2H3/t15?,17-,18+,19-
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PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair
Glycine transporter 2


(Homo sapiens (Human))
BDBM50309968
PNG
((exo)-N-(2-(2-fluoropropyl)octahydrocyclopenta[c]p...)
Show SMILES CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1
Show InChI InChI=1S/C23H28F4N4O2/c1-15(24)9-30-11-17-7-19(8-18(17)12-30)31(22(32)21-13-29(2)14-28-21)10-16-4-3-5-20(6-16)33-23(25,26)27/h3-6,13-15,17-19H,7-12H2,1-2H3/t15?,17-,18+,19-
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human glycine transporter 2-mediated glycine uptake expressed in HEK293 cells


Bioorg Med Chem Lett 20: 907-11 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5
More data for this
Ligand-Target Pair