SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 308.3
BDBM31068

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
5-hydroxytryptamine receptor 1E (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2KH0KNM
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	7.4	23
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2S46Q8P
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q28C9TQN
					More data for this Ligand-Target Pair
DNA damage-inducible transcript 3 protein (Mus musculus)	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PC30VZ
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2D50KC1
					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2319T8T
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q26Q1VNZ
					More data for this Ligand-Target Pair
Steroidogenic factor 1 (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2PR7TCX
					More data for this Ligand-Target Pair
X-box-binding protein 1 (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2NK3CGB
					More data for this Ligand-Target Pair
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	n/a	n/a	749	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24B35DW
TBA					More data for this Ligand-Target Pair
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	749	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of SDHB in human U2OS cells over-expressing Bim assessed as inhibition of apoptosis preincubated for 1 hr followed by doxycyclin addition ...				ACS Med Chem Lett 8: 407-412 (2017) Article DOI: 10.1021/acsmedchemlett.6b00489 BindingDB Entry DOI: 10.7270/Q29Z9745
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Vacuolar aminopeptidase 1 (Saccharomyces cerevisiae)	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.05E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21R6P02
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
60S ribosomal protein L19-A (Saccharomyces cerevisiae)	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2JQ0ZGP
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Homo sapiens (Human))	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q24B35DW
TBA					More data for this Ligand-Target Pair
General amino acid permease AGP1 (Saccharomyces cerevisiae S288c)	BDBM31068 (2-(methylsulfonyl)-4-thien-2-yl-6-(trifluoromethyl...) Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1cccs1 Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	872	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q29885GJ
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair