BDBM50202146 5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxothiazolidin-4-one::CHEMBL230515

SMILES: COc1cc(C=C2SC(S)=NC2=O)ccc1OCc1ccccc1

InChI Key: InChIKey=PNLIGOAITMKOBJ-UHFFFAOYSA-N

Data: 1 KI  2 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 3 hits for monomerid = 50202146   

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))	BDBM50202146 (5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxothi...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1OCc1ccccc1 |w:5.4,c:9| Show InChI InChI=1S/C18H15NO3S2/c1-21-15-9-13(10-16-17(20)19-18(23)24-16)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	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))	BDBM50202146 (5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxothi...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1OCc1ccccc1 |w:5.4,c:9| Show InChI InChI=1S/C18H15NO3S2/c1-21-15-9-13(10-16-17(20)19-18(23)24-16)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,23)	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	770	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
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM50202146 (5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxothi...) Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1OCc1ccccc1 |w:5.4,c:9| Show InChI InChI=1S/C18H15NO3S2/c1-21-15-9-13(10-16-17(20)19-18(23)24-16)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of ADAMTS5				Bioorg Med Chem Lett 17: 1185-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.027 BindingDB Entry DOI: 10.7270/Q2PN95BB
					More data for this Ligand-Target Pair