BindingDB logo
myBDB logout

null

SMILES: OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2cccc(F)c2)C1

InChI Key: InChIKey=HWWDMQPINOYECK-FLIBITNWSA-N

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 2 hits for monomerid = 50491713   
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- and chloride-dependent GABA transporter 3


(Mus musculus)		BDBM50491713
PNG
(CHEMBL2387675)
Show SMILES OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2cccc(F)c2)C1
Show InChI InChI=1S/C23H25F2NO3/c24-21-5-1-3-17(14-21)13-18-6-7-22(25)15-19(18)8-11-29-12-10-26-9-2-4-20(16-26)23(27)28/h1,3,5-8,11,14-15,20H,2,4,9-10,12-13,16H2,(H,27,28)/b11-8-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


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

Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1


(Rattus norvegicus)		BDBM50491713
PNG
(CHEMBL2387675)
Show SMILES OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2cccc(F)c2)C1
Show InChI InChI=1S/C23H25F2NO3/c24-21-5-1-3-17(14-21)13-18-6-7-22(25)15-19(18)8-11-29-12-10-26-9-2-4-20(16-26)23(27)28/h1,3,5-8,11,14-15,20H,2,4,9-10,12-13,16H2,(H,27,28)/b11-8-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 302n/an/an/an/an/an/a



Ludwig-Maximilians-University Munich

Curated by ChEMBL


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

Bioorg Med Chem 21: 3363-78 (2013)


Article DOI: 10.1016/j.bmc.2013.02.056
BindingDB Entry DOI: 10.7270/Q23N269C
More data for this
Ligand-Target Pair