BDBM50123287 (2-Ethyl-8-methoxy-1-oxo-3-thioxo-2,3-dihydro-1H-imidazo[1,5-a]indol-6-yloxy)-acetic acid tert-butyl ester::CHEMBL151686

SMILES: CCN1C(=O)c2cc3c(OC)cc(OCC(=O)OC(C)(C)C)cc3n2C1=S

InChI Key: InChIKey=DTUACVJXQHFAHA-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 = 50123287   

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))	BDBM50123287 ((2-Ethyl-8-methoxy-1-oxo-3-thioxo-2,3-dihydro-1H-i...) Show SMILES CCN1C(=O)c2cc3c(OC)cc(OCC(=O)OC(C)(C)C)cc3n2C1=S Show InChI InChI=1S/C19H22N2O5S/c1-6-20-17(23)14-9-12-13(21(14)18(20)27)7-11(8-15(12)24-5)25-10-16(22)26-19(2,3)4/h7-9H,6,10H2,1-5H3	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	390	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