BDBM42118 (5Z)-1-allyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone::(5Z)-5-[[1-(3-nitrophenyl)-2-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione::(5Z)-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione::BIM-0040316.P001::cid_5345833

SMILES: [O-][N+](=O)c1cccc(c1)[N+]1=CC=CC1=C[c-]1c(=O)[nH]c(=S)n(CC=C)c1=O

InChI Key: InChIKey=TUYBGJKHLVEMKO-UHFFFAOYSA-N

Data: 1 EC50

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 = 42118   

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
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM42118 ((5Z)-1-allyl-5-[[1-(3-nitrophenyl)pyrrol-2-yl]meth...) Show SMILES [O-][N+](=O)c1cccc(c1)[N+]1=CC=CC1=C[c-]1c(=O)[nH]c(=S)n(CC=C)c1=O |w:14.16,c:12,t:10| Show InChI InChI=1S/C18H14N4O4S/c1-2-8-21-17(24)15(16(23)19-18(21)27)11-13-7-4-9-20(13)12-5-3-6-14(10-12)22(25)26/h2-7,9-11H,1,8H2,(H,19,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	5.36E+3	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2R78CMH
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