BDBM50123307 1,3-Diethyl-5-(7-methyl-1H-indol-3-ylmethylene)-2-thioxo-dihydro-pyrimidine-4,6-dione::CHEMBL359348

SMILES: CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3c(C)cccc23)C1=O

InChI Key: InChIKey=CZMWMCFESYBLKQ-UHFFFAOYSA-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 = 50123307   

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))	BDBM50123307 (1,3-Diethyl-5-(7-methyl-1H-indol-3-ylmethylene)-2-...) Show SMILES CCN1C(=S)N(CC)C(=O)C(=Cc2c[nH]c3c(C)cccc23)C1=O |(19.91,-1.06,;18.6,-.24,;18.66,1.28,;17.31,2.03,;15.99,1.24,;17.29,3.57,;15.96,4.39,;14.6,3.66,;18.59,4.37,;18.57,5.93,;19.95,3.62,;21.27,4.42,;22.62,3.68,;22.81,2.15,;24.32,1.86,;25.05,3.22,;26.55,3.57,;27.61,2.44,;27,5.04,;25.94,6.17,;24.44,5.81,;24,4.34,;19.98,2.09,;21.34,1.35,)| Show InChI InChI=1S/C18H19N3O2S/c1-4-20-16(22)14(17(23)21(5-2)18(20)24)9-12-10-19-15-11(3)7-6-8-13(12)15/h6-10,19H,4-5H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	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