BindingDB PrimarySearch

BDBM44442 2-(1-methyl-2-benzimidazolyl)-2-[4-oxo-3-prop-2-enyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-2-thiazolidinylidene]acetonitrile::2-(1-methylbenzimidazol-2-yl)-2-[4-oxidanylidene-3-prop-2-enyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]ethanenitrile::2-(1-methylbenzimidazol-2-yl)-2-[4-oxo-3-prop-2-enyl-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]acetonitrile::2-[3-allyl-4-keto-5-(3,4,5-trimethoxybenzylidene)thiazolidin-2-ylidene]-2-(1-methylbenzimidazol-2-yl)acetonitrile::MLS000098330::SMR000062493::cid_2998243

SMILES: COc1cc(C=c2s\c(=C(\C#N)c3nc4ccccc4n3C)n(CC=C)c2=O)cc(OC)c1OC

InChI Key: InChIKey=PZIGOHUQRSCTDW-RKFJFMBDSA-N

Data: 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 44442
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Eph receptor A4 (Mus musculus)	BDBM44442 (2-(1-methyl-2-benzimidazolyl)-2-[4-oxo-3-prop-2-en...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	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/Q2P55KW4
					More data for this Ligand-Target Pair
Mannose-6-phosphate isomerase (Homo sapiens (Human))	BDBM44442 (2-(1-methyl-2-benzimidazolyl)-2-[4-oxo-3-prop-2-en...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of human purified phosphomannose isomerase				J Med Chem 54: 3661-8 (2011) Article DOI: 10.1021/jm101401a BindingDB Entry DOI: 10.7270/Q28C9WKP
					More data for this Ligand-Target Pair
BZLF2 (Human herpesvirus 4 type 2)	BDBM44442 (2-(1-methyl-2-benzimidazolyl)-2-[4-oxo-3-prop-2-en...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.34E+3	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
Eph receptor A4 (Mus musculus)	BDBM44442 (2-(1-methyl-2-benzimidazolyl)-2-[4-oxo-3-prop-2-en...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2JD4V5T
					More data for this Ligand-Target Pair