BDBM50123291 3-Ethyl-5-[1-[5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-thiophen-2-yl]-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one::CHEMBL357092

SMILES: CCN1C(=S)S\C(=C/c2ccc(s2)-c2cc(nn2C)C(F)(F)F)C1=O

InChI Key: InChIKey=KEBYCDOAKSSMIY-WDZFZDKYSA-N

Data: 1 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 1 hit for monomerid = 50123291   

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
Tumor necrosis factor receptor R1 (Homo sapiens (Human))	BDBM50123291 (3-Ethyl-5-[1-[5-(2-methyl-5-trifluoromethyl-2H-pyr...) Show SMILES CCN1C(=S)S\C(=C/c2ccc(s2)-c2cc(nn2C)C(F)(F)F)C1=O Show InChI InChI=1S/C15H12F3N3OS3/c1-3-21-13(22)11(25-14(21)23)6-8-4-5-10(24-8)9-7-12(15(16,17)18)19-20(9)2/h4-7H,3H2,1-2H3/b11-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of TNF-alpha binding to TNFRc1				Bioorg Med Chem Lett 13: 533-8 (2003) BindingDB Entry DOI: 10.7270/Q2X929N3
					More data for this Ligand-Target Pair