BDBM50491707 CHEMBL2387677

SMILES: OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2ccccc2F)C1

InChI Key: InChIKey=LFJRBVHGXKJLHK-XFXZXTDPSA-N

Data: 2 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 2 hits for monomerid = 50491707   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50491707 (CHEMBL2387677) Show SMILES OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2ccccc2F)C1 Show InChI InChI=1S/C23H25F2NO3/c24-21-8-7-17(14-19-4-1-2-6-22(19)25)18(15-21)9-12-29-13-11-26-10-3-5-20(16-26)23(27)28/h1-2,4,6-9,12,15,20H,3,5,10-11,13-14,16H2,(H,27,28)/b12-9-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50491707 (CHEMBL2387677) Show SMILES OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2ccccc2F)C1 Show InChI InChI=1S/C23H25F2NO3/c24-21-8-7-17(14-19-4-1-2-6-22(19)25)18(15-21)9-12-29-13-11-26-10-3-5-20(16-26)23(27)28/h1-2,4,6-9,12,15,20H,3,5,10-11,13-14,16H2,(H,27,28)/b12-9-	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/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