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BDBM50069382 CHEMBL3403576

SMILES: CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO

InChI Key: InChIKey=CPIOVYMSTSCZGW-DENIHFKCSA-N

Data: 8 IC50

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 8 hits for monomerid = 50069382   
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
GABA transporter


(Mus musculus)
BDBM50069382
PNG
(CHEMBL3403576)
Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO
Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1
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Article
PubMed
n/an/a 8.71E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT4 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50069382
PNG
(CHEMBL3403576)
Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO
Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1
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PubMed
n/an/a 8.66E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT4 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter 1


(Rattus norvegicus)
BDBM50069382
PNG
(CHEMBL3403576)
Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO
Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1
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n/an/a 2.24E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50069382
PNG
(CHEMBL3403576)
Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO
Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1
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n/an/a 1.19E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT3 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter 1


(Rattus norvegicus)
BDBM50069382
PNG
(CHEMBL3403576)
Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO
Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1
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PubMed
n/an/a 2.23E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT1 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50069382
PNG
(CHEMBL3403576)
Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO
Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1
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Article
PubMed
n/an/a 1.17E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT3 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50069382
PNG
(CHEMBL3403576)
Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO
Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1
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Article
PubMed
n/an/a 6.33E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50069382
PNG
(CHEMBL3403576)
Show SMILES CN(CCOC(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)[C@@H]1CCCC[C@@H]1CO
Show InChI InChI=1S/C25H29F6NO2/c1-32(22-5-3-2-4-19(22)16-33)14-15-34-23(17-6-10-20(11-7-17)24(26,27)28)18-8-12-21(13-9-18)25(29,30)31/h6-13,19,22-23,33H,2-5,14-16H2,1H3/t19-,22-/m1/s1
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Article
PubMed
n/an/a 6.31E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3H]GABA uptake after 3 mins incubation by TopCount microplate scintill...


Bioorg Med Chem 23: 2480-8 (2015)


Article DOI: 10.1016/j.bmc.2015.03.060
BindingDB Entry DOI: 10.7270/Q2KH0Q0R
More data for this
Ligand-Target Pair