BDBM50830 4-[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]-3-oxobutanoic acid ethyl ester::4-[[3-cyano-6-(3-pyridyl)-2-pyridyl]thio]-3-keto-butyric acid ethyl ester::MLS000050698::SMR000078165::cid_1850575::ethyl 4-(3-cyano-6-pyridin-3-yl-pyridin-2-yl)sulfanyl-3-oxidanylidene-butanoate::ethyl 4-(3-cyano-6-pyridin-3-ylpyridin-2-yl)sulfanyl-3-oxobutanoate::ethyl 4-[(5-cyano-2,3'-bipyridin-6-yl)thio]-3-oxobutanoate

SMILES: CCOC(=O)CC(=O)CSc1nc(ccc1C#N)-c1cccnc1

InChI Key: InChIKey=GHEYAKOHURIGNL-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50830   

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
BZLF2 (Human herpesvirus 4 type 2)	BDBM50830 (4-[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]-3-ox...) Show SMILES CCOC(=O)CC(=O)CSc1nc(ccc1C#N)-c1cccnc1 Show InChI InChI=1S/C17H15N3O3S/c1-2-23-16(22)8-14(21)11-24-17-12(9-18)5-6-15(20-17)13-4-3-7-19-10-13/h3-7,10H,2,8,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2057DCW
					More data for this Ligand-Target Pair
dTDP-4-dehydrorhamnose 3,5-epimerase RmlC (Mycobacterium tuberculosis H37Rv)	BDBM50830 (4-[[3-cyano-6-(3-pyridinyl)-2-pyridinyl]thio]-3-ox...) Show SMILES CCOC(=O)CC(=O)CSc1nc(ccc1C#N)-c1cccnc1 Show InChI InChI=1S/C17H15N3O3S/c1-2-23-16(22)8-14(21)11-24-17-12(9-18)5-6-15(20-17)13-4-3-7-19-10-13/h3-7,10H,2,8,11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	855	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TD9VRT
					More data for this Ligand-Target Pair