BDBM50244767 4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)thiazolidin-5-ylidene)methyl)benzoic acid::4-[[4-Oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-5-thiazolidinylidene]methyl]benzoic acid::CHEMBL461939

SMILES: OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1

InChI Key: InChIKey=JIMHYXZZCWVCMI-ZSOIEALJSA-N

Data: 4 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 4 hits for monomerid = 50244767   

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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50244767 (4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...) Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human wild type CFTR expressed in rat FRT cells assessed as chloride current by short-circuit current measurements				Bioorg Med Chem 16: 8187-95 (2008) Article DOI: 10.1016/j.bmc.2008.07.044 BindingDB Entry DOI: 10.7270/Q27M07S6
					More data for this Ligand-Target Pair
NLRP3 protein (Homo sapiens (Human))	BDBM50244767 (4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...) Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xiamen University Curated by ChEMBL					Assay Description Inhibition of NLRP3 inflammasome (unknown origin) activation in LPS-primed bone marrow derived macrophage cells assessed as effect on IL-1beta produc...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50244767 (4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...) Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of CFTR				J Med Chem 54: 5468-77 (2011) Article DOI: 10.1021/jm200505e BindingDB Entry DOI: 10.7270/Q2280809
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50244767 (4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...) Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of CFTR				J Med Chem 52: 6447-55 (2009) Article DOI: 10.1021/jm9009873 BindingDB Entry DOI: 10.7270/Q28W3DHW
					More data for this Ligand-Target Pair