BDBM89283 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester::4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester::MLS000391298::SMR000260335::[2-(4-methyl-2-nitroanilino)-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate::[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate::cid_5057113
SMILES: CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2ccc(C)cc2[N+]([O-])=O)c1C
InChI Key: InChIKey=YUHCWAZJAFSABU-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein Wnt-3a (Mus musculus) | BDBM89283 (4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 245 | n/a | n/a | n/a | n/a | n/a | n/a |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q25B012X | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc finger protein GLI1 (Mus musculus) | BDBM89283 (4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 535 | n/a | n/a | n/a | n/a | n/a | n/a |
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 (2012) BindingDB Entry DOI: 10.7270/Q2862F26 | |||||||||||
More data for this Ligand-Target Pair |