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BDBM50051038 CHEMBL3318047

SMILES: OC(=O)[C@@H]1CCCN(CCOCCc2ccc(cc2)\N=N\c2cccc3ccccc23)C1

InChI Key: InChIKey=WCBYBFHLMDMYRW-WLUAOFEGNA-N

Data: 5 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 5 hits for monomerid = 50051038   
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)
BDBM50051038
PNG
(CHEMBL3318047)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2ccc(cc2)\N=N\c2cccc3ccccc23)C1
Show InChI InChI=1/C26H29N3O3/c30-26(31)22-7-4-15-29(19-22)16-18-32-17-14-20-10-12-23(13-11-20)27-28-25-9-3-6-21-5-1-2-8-24(21)25/h1-3,5-6,8-13,22H,4,7,14-19H2,(H,30,31)/b28-27+/t22-/s2
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PubMed
n/an/a 2.29E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT4 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake after 25 mins by liquid scintillation counting


J Med Chem 57: 6809-21 (2014)


Article DOI: 10.1021/jm5008566
BindingDB Entry DOI: 10.7270/Q2FJ2JDX
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50051038
PNG
(CHEMBL3318047)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2ccc(cc2)\N=N\c2cccc3ccccc23)C1
Show InChI InChI=1/C26H29N3O3/c30-26(31)22-7-4-15-29(19-22)16-18-32-17-14-20-10-12-23(13-11-20)27-28-25-9-3-6-21-5-1-2-8-24(21)25/h1-3,5-6,8-13,22H,4,7,14-19H2,(H,30,31)/b28-27+/t22-/s2
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n/an/a 1.95E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT3 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake after 25 mins by liquid scintillation counting


J Med Chem 57: 6809-21 (2014)


Article DOI: 10.1021/jm5008566
BindingDB Entry DOI: 10.7270/Q2FJ2JDX
More data for this
Ligand-Target Pair
GABA transporter 1


(Rattus norvegicus)
BDBM50051038
PNG
(CHEMBL3318047)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2ccc(cc2)\N=N\c2cccc3ccccc23)C1
Show InChI InChI=1/C26H29N3O3/c30-26(31)22-7-4-15-29(19-22)16-18-32-17-14-20-10-12-23(13-11-20)27-28-25-9-3-6-21-5-1-2-8-24(21)25/h1-3,5-6,8-13,22H,4,7,14-19H2,(H,30,31)/b28-27+/t22-/s2
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n/an/a 269n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake after 25 mins by liquid scintillation counting


J Med Chem 57: 6809-21 (2014)


Article DOI: 10.1021/jm5008566
BindingDB Entry DOI: 10.7270/Q2FJ2JDX
More data for this
Ligand-Target Pair
GABA transporter 1


(Rattus norvegicus)
BDBM50051038
PNG
(CHEMBL3318047)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2ccc(cc2)\N=N\c2cccc3ccccc23)C1
Show InChI InChI=1/C26H29N3O3/c30-26(31)22-7-4-15-29(19-22)16-18-32-17-14-20-10-12-23(13-11-20)27-28-25-9-3-6-21-5-1-2-8-24(21)25/h1-3,5-6,8-13,22H,4,7,14-19H2,(H,30,31)/b28-27+/t22-/s2
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n/an/a 794n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT1 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake treated with compound irradiated at 375 nm for 30 mins ...


J Med Chem 57: 6809-21 (2014)


Article DOI: 10.1021/jm5008566
BindingDB Entry DOI: 10.7270/Q2FJ2JDX
More data for this
Ligand-Target Pair
GABA transporter


(Mus musculus)
BDBM50051038
PNG
(CHEMBL3318047)
Show SMILES OC(=O)[C@@H]1CCCN(CCOCCc2ccc(cc2)\N=N\c2cccc3ccccc23)C1
Show InChI InChI=1/C26H29N3O3/c30-26(31)22-7-4-15-29(19-22)16-18-32-17-14-20-10-12-23(13-11-20)27-28-25-9-3-6-21-5-1-2-8-24(21)25/h1-3,5-6,8-13,22H,4,7,14-19H2,(H,30,31)/b28-27+/t22-/s2
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Article
PubMed
n/an/a 2.04E+4n/an/an/an/an/an/a



Ludwig-Maximilians-Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of mouse GAT2 stably expressed in HEK293 assessed as inhibition of [3H]GABA uptake after 25 mins by liquid scintillation counting


J Med Chem 57: 6809-21 (2014)


Article DOI: 10.1021/jm5008566
BindingDB Entry DOI: 10.7270/Q2FJ2JDX
More data for this
Ligand-Target Pair