Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 332.3 BDBM77506Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-3 (Homo sapiens (Human))	BDBM77506 (2-keto-6-nitro-N-[1-(tetrahydrofuryl)ethyl]chromen...) Show SMILES CC(NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O)C1CCCO1 Show InChI InChI=1S/C16H16N2O6/c1-9(13-3-2-6-23-13)17-15(19)12-8-10-7-11(18(21)22)4-5-14(10)24-16(12)20/h4-5,7-9,13H,2-3,6H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P
					More data for this Ligand-Target Pair
Caspase-7 (Homo sapiens (Human))	BDBM77506 (2-keto-6-nitro-N-[1-(tetrahydrofuryl)ethyl]chromen...) Show SMILES CC(NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O)C1CCCO1 Show InChI InChI=1S/C16H16N2O6/c1-9(13-3-2-6-23-13)17-15(19)12-8-10-7-11(18(21)22)4-5-14(10)24-16(12)20/h4-5,7-9,13H,2-3,6H2,1H3,(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSR...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6
					More data for this Ligand-Target Pair