BindingDB PrimarySearch

null

SMILES: [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]

InChI Key: InChIKey=PBJUNZJWGZTSKL-MRXNPFEDSA-N

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 63 hits for monomerid = 50039251
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA uptake by liquid scintillation counting				J Med Chem 58: 2149-58 (2015) Article DOI: 10.1021/jm5015428 BindingDB Entry DOI: 10.7270/Q2D50PNV
University of Vienna Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 2 (Mus musculus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	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
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Mus musculus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+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
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	800	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
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+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
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Homo sapiens (Human))	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	380	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 human 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
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	132	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
Ludwig-Maximilians-Universit£t M£nchen Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at GAT2 in mouse astrocytes after 3 mins by scintillation counting analysis				J Med Chem 56: 2160-4 (2013) Article DOI: 10.1021/jm301872x BindingDB Entry DOI: 10.7270/Q2G73G26
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Mus musculus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of [3H]GABA uptake at GAT2 in mouse neurons after 3 mins by scintillation counting analysis				J Med Chem 56: 2160-4 (2013) Article DOI: 10.1021/jm301872x BindingDB Entry DOI: 10.7270/Q2G73G26
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 1 (Homo sapiens (Human))	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1)				J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX
Synaptic Pharmaceutical Corporation Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium- and chloride-dependent GABA transporter 2 (Rattus norvegicus)	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.41E+6	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against rat GABA transporter-2 (rGAT2)				J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX
Synaptic Pharmaceutical Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3 (Homo sapiens (Human))	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	9.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibitory activity against human sodium and chloride dependent GABA transporter 3				J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX
Synaptic Pharmaceutical Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium- and chloride-dependent betaine transporter (Homo sapiens (Human))	BDBM50039251 ((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	1.67E+6	n/a	n/a	n/a	n/a	n/a	n/a
Synaptic Pharmaceutical Corporation Curated by ChEMBL					Assay Description Inhibition of human GABA transporter (hBGT-1) activity.				J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX
Synaptic Pharmaceutical Corporation Curated by ChEMBL					More data for this Ligand-Target Pair

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