BDBM50202151 3-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid::CHEMBL230683::cid_24677765

SMILES: OC(=O)CCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O

InChI Key: InChIKey=NELDZQRTYVKUHA-LFVJCYFKSA-N

Data: 2 IC50  2 EC50

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 4 hits for monomerid = 50202151   

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
Caspase-9 (Homo sapiens (Human))	BDBM50202151 (3-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-thiox...) Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O Show InChI InChI=1S/C27H23NO5S2/c29-25(30)13-14-28-26(31)24(35-27(28)34)16-21-11-12-22(32-17-19-7-3-1-4-8-19)23(15-21)33-18-20-9-5-2-6-10-20/h1-12,15-16H,13-14,17-18H2,(H,29,30)/b24-16+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human))	BDBM50202151 (3-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-thiox...) Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O Show InChI InChI=1S/C27H23NO5S2/c29-25(30)13-14-28-26(31)24(35-27(28)34)16-21-11-12-22(32-17-19-7-3-1-4-8-19)23(15-21)33-18-20-9-5-2-6-10-20/h1-12,15-16H,13-14,17-18H2,(H,29,30)/b24-16+	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	5.30E+3	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
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM50202151 (3-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-thiox...) Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O Show InChI InChI=1S/C27H23NO5S2/c29-25(30)13-14-28-26(31)24(35-27(28)34)16-21-11-12-22(32-17-19-7-3-1-4-8-19)23(15-21)33-18-20-9-5-2-6-10-20/h1-12,15-16H,13-14,17-18H2,(H,29,30)/b24-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q29C6VXX
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM50202151 (3-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-thiox...) Show SMILES OC(=O)CCN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O Show InChI InChI=1S/C27H23NO5S2/c29-25(30)13-14-28-26(31)24(35-27(28)34)16-21-11-12-22(32-17-19-7-3-1-4-8-19)23(15-21)33-18-20-9-5-2-6-10-20/h1-12,15-16H,13-14,17-18H2,(H,29,30)/b24-16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2SB447H
					More data for this Ligand-Target Pair