BDBM61252 5-[2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]-2-hydroxy-benzoic acid::5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-oxidanyl-benzoic acid::5-[2-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-2-hydroxybenzoic acid::5-[[2-[(5Z)-5-(2-furanylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]-2-hydroxybenzoic acid::MLS001157853::SMR000651262::cid_6533011

SMILES: CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O

InChI Key: InChIKey=RPKPCZUDZKOHDP-ZSOIEALJSA-N

Data: 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 5 hits for monomerid = 61252   

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
SUMO-conjugating enzyme UBC9 (Homo sapiens (Human))	BDBM61252 (5-[2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...) Show SMILES CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C18H14N2O6S2/c1-9(15(22)19-10-4-5-13(21)12(7-10)17(24)25)20-16(23)14(28-18(20)27)8-11-3-2-6-26-11/h2-9,21H,1H3,(H,19,22)(H,24,25)/b14-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	980	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/Q2V986G8
					More data for this Ligand-Target Pair
SUMO-activating enzyme subunit 1 (Homo sapiens (Human))	BDBM61252 (5-[2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...) Show SMILES CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C18H14N2O6S2/c1-9(15(22)19-10-4-5-13(21)12(7-10)17(24)25)20-16(23)14(28-18(20)27)8-11-3-2-6-26-11/h2-9,21H,1H3,(H,19,22)(H,24,25)/b14-8-	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	1.94E+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/Q2BP0175
					More data for this Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (Homo sapiens (Human))	BDBM61252 (5-[2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...) Show SMILES CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C18H14N2O6S2/c1-9(15(22)19-10-4-5-13(21)12(7-10)17(24)25)20-16(23)14(28-18(20)27)8-11-3-2-6-26-11/h2-9,21H,1H3,(H,19,22)(H,24,25)/b14-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2S46QKQ
					More data for this Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T] (Homo sapiens (Human))	BDBM61252 (5-[2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...) Show SMILES CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C18H14N2O6S2/c1-9(15(22)19-10-4-5-13(21)12(7-10)17(24)25)20-16(23)14(28-18(20)27)8-11-3-2-6-26-11/h2-9,21H,1H3,(H,19,22)(H,24,25)/b14-8-	PDB MMDB B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2NC5ZV0
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM61252 (5-[2-[(5Z)-5-(2-furfurylidene)-4-keto-2-thioxo-thi...) Show SMILES CC(N1C(=S)S\C(=C/c2ccco2)C1=O)C(=O)Nc1ccc(O)c(c1)C(O)=O Show InChI InChI=1S/C18H14N2O6S2/c1-9(15(22)19-10-4-5-13(21)12(7-10)17(24)25)20-16(23)14(28-18(20)27)8-11-3-2-6-26-11/h2-9,21H,1H3,(H,19,22)(H,24,25)/b14-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.39E+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 (2012) BindingDB Entry DOI: 10.7270/Q2NC5ZRN
					More data for this Ligand-Target Pair