BDBM50063507 CHEMBL3398507

SMILES: [#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#7])-[#6](-[#8])=O

InChI Key: InChIKey=RWWDPIHHBIWVPN-SJORKVTESA-N

Data: 2 KI  3 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 = 50063507   

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
GABA transporter 1 (Homo sapiens (Human))	BDBM50063507 (CHEMBL3398507) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H26N2O2S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-22-10-4-6-16(22)17(21)20(23)24/h5,7-8,11-12,16-17H,3-4,6,9-10,21H2,1-2H3,(H,23,24)/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Binding affinity to human GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay				Bioorg Med Chem 23: 1284-306 (2015) Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50063507 (CHEMBL3398507) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H26N2O2S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-22-10-4-6-16(22)17(21)20(23)24/h5,7-8,11-12,16-17H,3-4,6,9-10,21H2,1-2H3,(H,23,24)/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Binding affinity to mouse GAT1 expressed in HEK293 cells using NO71156 as unlabelled marker by LC-ESI-MS-MS based competitive MS binding assay				Bioorg Med Chem 23: 1284-306 (2015) Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK
					More data for this Ligand-Target Pair
Norepinephrine transporter (MOUSE)	BDBM50063507 (CHEMBL3398507) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H26N2O2S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-22-10-4-6-16(22)17(21)20(23)24/h5,7-8,11-12,16-17H,3-4,6,9-10,21H2,1-2H3,(H,23,24)/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of mouse GAT2 expressed in HEK293 cells by [3H]GABA uptake assay				Bioorg Med Chem 23: 1284-306 (2015) Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK
					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50063507 (CHEMBL3398507) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H26N2O2S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-22-10-4-6-16(22)17(21)20(23)24/h5,7-8,11-12,16-17H,3-4,6,9-10,21H2,1-2H3,(H,23,24)/t16-,17+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of mouse GAT1 expressed in HEK293 cells by [3H]GABA uptake assay				Bioorg Med Chem 23: 1284-306 (2015) Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK
					More data for this Ligand-Target Pair
SLC6A4 (MOUSE)	BDBM50063507 (CHEMBL3398507) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1sccc1-[#6])-c1sccc1-[#6])[#6@H](-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C20H26N2O2S2/c1-13-7-11-25-18(13)15(19-14(2)8-12-26-19)5-3-9-22-10-4-6-16(22)17(21)20(23)24/h5,7-8,11-12,16-17H,3-4,6,9-10,21H2,1-2H3,(H,23,24)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					Assay Description Inhibition of mouse GAT4 expressed in HEK293 cells by [3H]GABA uptake assay				Bioorg Med Chem 23: 1284-306 (2015) Article DOI: 10.1016/j.bmc.2015.01.035 BindingDB Entry DOI: 10.7270/Q2QR4ZTK
					More data for this Ligand-Target Pair