BDBM61645 3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)-butyrylamino]-benzoic acid::3-[4-[(5E)-4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::3-[4-[(5E)-5-benzal-4-keto-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid::3-[4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::3-[[1-oxo-4-[(5E)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]butyl]amino]benzoic acid::MLS001219610::SMR000608141::cid_1205881

SMILES: OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1

InChI Key: InChIKey=JTZGYFSJKDLGJM-SFQUDFHCSA-N

Data: 8 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 8 hits for monomerid = 61645   

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
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM61645 (3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...) Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	805	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 (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2TQ5ZZB
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM61645 (3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...) Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.71E+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(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2028PZ5
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM61645 (3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...) Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.60E+3	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 Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F47MKR
					More data for this Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 12 isoform 2 (Homo sapiens (Human))	BDBM61645 (3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...) Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.37E+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 (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q28G8J5T
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM61645 (3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...) Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.10E+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 (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2QZ28FP
					More data for this Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP (Homo sapiens (Human))	BDBM61645 (3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...) Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.26E+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(SBMRI, San Diego, CA...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2M9073J
					More data for this Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP) (Homo sapiens (Human))	BDBM61645 (3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...) Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.02E+3	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 (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BR8QNJ
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM61645 (3-[4-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-y...) Show SMILES OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(13-16)20(26)27)10-5-11-23-19(25)17(29-21(23)28)12-14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)/b17-12+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.64E+3	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: Dr. Mary Abood Source Affiliation: Temple University Network: NIH Molecular Libraries Probe Production Centers Network (MLPCN) Grant Pro...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27S7M6H
					More data for this Ligand-Target Pair