BindingDB PrimarySearch

null

SMILES: C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1

InChI Key: InChIKey=CHNUOJQWGUIOLD-NFZZJPOKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 61 hits for monomerid = 50049730
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
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of Protein kinase C delta expressed in Sf-9 cells				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126815 BindingDB Entry DOI: 10.7270/Q2S46WHW
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of human Protein kinase C epsilon				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126815 BindingDB Entry DOI: 10.7270/Q2S46WHW
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of Protein kinase C zeta				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126815 BindingDB Entry DOI: 10.7270/Q2S46WHW
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of human Protein kinase C beta 2				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126815 BindingDB Entry DOI: 10.7270/Q2S46WHW
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B10 (Homo sapiens (Human))	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Inhibition of Protein kinase C zeta				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126815 BindingDB Entry DOI: 10.7270/Q2S46WHW
Kyushu University Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Inhibition of AKR1B1 in rat lenses				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127101 BindingDB Entry DOI: 10.7270/Q2BC433M
Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat lens ALR2 assessed as reduction in NADPH oxidation using D,L-glyceraldehyde and NADPH as substrate preincubated for 10 mins ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
TBA					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Wistar rat kidney ALR1 assessed as reduction in NADPH oxidation using sodium D-glucuronate and NADPH as substrate preincubated for 10 m...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113269 BindingDB Entry DOI: 10.7270/Q2CV4NFV
TBA					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Homo sapiens (Human))	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ALR2 using D,L-glyceraldehyde and NADPH as substrate preincubated for 3 mins followed by substrate addition and measu...				Citation and Details Article DOI: 10.1016/j.bmcl.2016.09.033 BindingDB Entry DOI: 10.7270/Q2P55S56
TBA					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B7 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of rat kidney ALR1 using sodium D-glucuronate as substrate preincubated for 4 mins at 37 degC followed by substrate addition and measured ...				Citation and Details Article DOI: 10.1016/j.bmc.2020.115699 BindingDB Entry DOI: 10.7270/Q2222ZC6
TBA					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member B1 (Rattus norvegicus)	BDBM50049730 (2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound against partially purified rat lens Aldose reductase at a dose of 5e-7M				J Med Chem 39: 1924-7 (1996) Article DOI: 10.1021/jm9508393 BindingDB Entry DOI: 10.7270/Q2PV6JGM
Nippon Zoki Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair

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