BDBM50069385 CHEMBL3403578

SMILES: [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1

InChI Key: InChIKey=GNELMSCYJGMSAX-XZOQPEGZSA-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 = 50069385   

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)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.32E+5	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.36E+5	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+6	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent GABA transporter 2 (Mus musculus)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+6	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+6	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent GABA transporter 2 (Mus musculus)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+6	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/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
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50069385 (CHEMBL3403578) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6@H]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#7](-[#6])-[#6]-[#6]-[#8]\[#7]=[#6](/c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C25H32N2O3/c1-3-29-25(28)22-16-10-11-17-23(22)27(2)18-19-30-26-24(20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15,22-23H,3,10-11,16-19H2,1-2H3/t22-,23+/m0/s1	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	n/a	n/a	n/a	n/a	n/a	n/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