BDBM50340098 5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazolidin-4-one::CHEMBL255822

SMILES: COc1cc(C=C2SC(S)=NC2=O)ccc1O

InChI Key: InChIKey=OWXPWWRBBBGOLO-UHFFFAOYSA-N

Data: 1 KI  5 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 6 hits for monomerid = 50340098   

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
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50340098 (5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9| Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50340098 (5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9| Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Ohio Medical University Curated by ChEMBL					Assay Description Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...				Bioorg Med Chem Lett 21: 5498-501 (2011) Article DOI: 10.1016/j.bmcl.2011.06.111 BindingDB Entry DOI: 10.7270/Q2T43TFB
					More data for this Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM50340098 (5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9| Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50340098 (5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9| Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry				Bioorg Med Chem Lett 21: 4798-803 (2011) Article DOI: 10.1016/j.bmcl.2011.06.060 BindingDB Entry DOI: 10.7270/Q2GX4CKZ
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50340098 (5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9| Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+7	n/a	n/a	n/a	n/a	n/a	n/a
Shaoyang University Curated by ChEMBL					Assay Description Inhibition of diphenolase activity of mushroom tyrosinase preincubated with compound for 10 mins before addition of L-DOPA as substrate by spectropho...				Bioorg Med Chem Lett 21: 2376-9 (2011) Article DOI: 10.1016/j.bmcl.2011.02.076 BindingDB Entry DOI: 10.7270/Q2SF2WG1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50340098 (5-(4-hydroxy-3-methoxybenzylidene)-2-thioxothiazol...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1O |w:5.4,c:9| Show InChI InChI=1S/C11H9NO3S2/c1-15-8-4-6(2-3-7(8)13)5-9-10(14)12-11(16)17-9/h2-5,13H,1H3,(H,12,14,16)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northeastern Ohio Universities Colleges of Medicine and Pharmacy Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB by amplex red assay				Bioorg Med Chem Lett 21: 4798-803 (2011) Article DOI: 10.1016/j.bmcl.2011.06.060 BindingDB Entry DOI: 10.7270/Q2GX4CKZ
					More data for this Ligand-Target Pair