BDBM32981 (5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3-methyl-2-sulfanylidene-4-thiazolidinone::(5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one::(5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one::(5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one::5-[1-[1-(3-Hydroxy-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-meth-(Z)-ylidene]-3-methyl-2-thioxo-thiazolidin-4- one::MLS000779143::SMR000415846::cid_1872395

SMILES: CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2cccc(O)c2)C1=O

InChI Key: InChIKey=OOKBNDKJSKBKTB-NVNXTCNLSA-N

Data: 3 IC50  1 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 = 32981   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM32981 ((5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...) Show SMILES CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2cccc(O)c2)C1=O Show InChI InChI=1S/C17H16N2O2S2/c1-10-7-12(8-15-16(21)18(3)17(22)23-15)11(2)19(10)13-5-4-6-14(20)9-13/h4-9,20H,1-3H3/b15-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.4	23
PCMD Curated by PubChem BioAssay					Assay Description Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2H993J6
					More data for this Ligand-Target Pair
Tumor necrosis factor (Homo sapiens (Human))	BDBM32981 ((5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...) Show SMILES CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2cccc(O)c2)C1=O Show InChI InChI=1S/C17H16N2O2S2/c1-10-7-12(8-15-16(21)18(3)17(22)23-15)11(2)19(10)13-5-4-6-14(20)9-13/h4-9,20H,1-3H3/b15-8-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.55E+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/Q25M6443
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 1 (Homo sapiens (Human))	BDBM32981 ((5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...) Show SMILES CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2cccc(O)c2)C1=O Show InChI InChI=1S/C17H16N2O2S2/c1-10-7-12(8-15-16(21)18(3)17(22)23-15)11(2)19(10)13-5-4-6-14(20)9-13/h4-9,20H,1-3H3/b15-8-	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	n/a	n/a	9.29E+3	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/Q2CN72C0
					More data for this Ligand-Target Pair
nucleotide-binding oligomerization domain containing 2 (Homo sapiens (Human))	BDBM32981 ((5Z)-5-[[1-(3-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...) Show SMILES CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2cccc(O)c2)C1=O Show InChI InChI=1S/C17H16N2O2S2/c1-10-7-12(8-15-16(21)18(3)17(22)23-15)11(2)19(10)13-5-4-6-14(20)9-13/h4-9,20H,1-3H3/b15-8-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	695	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/Q23R0R8T
					More data for this Ligand-Target Pair