BDBM45651 (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate::(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate::(E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester::(E)-3-(3,4-dimethoxyphenyl)acrylic acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester::MLS000685020::SMR000324736::cid_7150694

SMILES: COc1ccc(\C=C\C(=O)Oc2cc(C)[nH]c(=O)c2[N+]([O-])=O)cc1OC

InChI Key: InChIKey=MGGHACFNPQGVFS-FNORWQNLSA-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 = 45651   

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
Factor XIIa (Homo sapiens (Human))	BDBM45651 ((6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl)...) Show SMILES COc1ccc(\C=C\C(=O)Oc2cc(C)[nH]c(=O)c2[N+]([O-])=O)cc1OC Show InChI InChI=1S/C17H16N2O7/c1-10-8-14(16(19(22)23)17(21)18-10)26-15(20)7-5-11-4-6-12(24-2)13(9-11)25-3/h4-9H,1-3H3,(H,18,21)/b7-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	49.5	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: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
					More data for this Ligand-Target Pair