BDBM61656 4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::4-[4-[(5E)-5-benzal-2-keto-4-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid::4-[4-[(5E)-5-benzylidene-2-oxo-4-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid::4-[[1-oxo-4-[(5E)-2-oxo-5-(phenylmethylene)-4-sulfanylidene-3-thiazolidinyl]butyl]amino]benzoic acid::MLS001167691::SMR000805729::cid_1382708

SMILES: OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1

InChI Key: InChIKey=JQYDWIFEFYUJLG-GHRIWEEISA-N

Data: 7 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 7 hits for monomerid = 61656   

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))	BDBM61656 (4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4...) Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(25)26)7-4-12-23-19(28)17(29-21(23)27)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,25,26)/b17-13+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.51E+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/Q2TQ5ZZB
					More data for this Ligand-Target Pair
G-protein coupled receptor 55 (Homo sapiens (Human))	BDBM61656 (4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4...) Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(25)26)7-4-12-23-19(28)17(29-21(23)27)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,25,26)/b17-13+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>3.20E+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))	BDBM61656 (4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4...) Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(25)26)7-4-12-23-19(28)17(29-21(23)27)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,25,26)/b17-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM61656 (4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4...) Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(25)26)7-4-12-23-19(28)17(29-21(23)27)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,25,26)/b17-13+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.98E+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/Q2MS3R7H
					More data for this Ligand-Target Pair
SUMO-1-specific protease (Homo sapiens (Human))	BDBM61656 (4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4...) Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(25)26)7-4-12-23-19(28)17(29-21(23)27)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,25,26)/b17-13+	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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/Q27H1H10
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM61656 (4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4...) Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(25)26)7-4-12-23-19(28)17(29-21(23)27)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,25,26)/b17-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	2.35E+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/Q2RJ4GZT
					More data for this Ligand-Target Pair
G-protein coupled receptor 35 (Homo sapiens (Human))	BDBM61656 (4-[4-[(5E)-2-oxidanylidene-5-(phenylmethylidene)-4...) Show SMILES OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1 Show InChI InChI=1S/C21H18N2O4S2/c24-18(22-16-10-8-15(9-11-16)20(25)26)7-4-12-23-19(28)17(29-21(23)27)13-14-5-2-1-3-6-14/h1-3,5-6,8-11,13H,4,7,12H2,(H,22,24)(H,25,26)/b17-13+	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.45E+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