BDBM59995 2-chloranyl-5-[2,5-dimethyl-3-[(E)-[2,4,6-tris(oxidanylidene)-1-(phenylmethyl)-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid::2-chloro-5-[2,5-dimethyl-3-[(E)-[2,4,6-trioxo-1-(phenylmethyl)-1,3-diazinan-5-ylidene]methyl]-1-pyrrolyl]benzoic acid::5-[3-[(E)-(1-benzyl-2,4,6-triketo-hexahydropyrimidin-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-2-chloro-benzoic acid::5-[3-[(E)-(1-benzyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-2-chlorobenzoic acid::5-{3-[(1-benzyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-2-chlorobenzoic acid::MLS000704570::SMR000230935::cid_1728957
SMILES: Cc1cc(\C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c(c1)C(O)=O
InChI Key: InChIKey=SFRAROVBRVKZJH-RGVLZGJSSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
leucine aminopeptidase (Plasmodium falciparum 3D7) | BDBM59995 (2-chloranyl-5-[2,5-dimethyl-3-[(E)-[2,4,6-tris(oxi...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 7.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SRMLSC Curated by PubChem BioAssay | Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human)) | BDBM59995 (2-chloranyl-5-[2,5-dimethyl-3-[(E)-[2,4,6-tris(oxi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 3.35E+3 | 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/Q2NC5ZRN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 (Homo sapiens (Human)) | BDBM59995 (2-chloranyl-5-[2,5-dimethyl-3-[(E)-[2,4,6-tris(oxi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.03E+3 | 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 (2011) BindingDB Entry DOI: 10.7270/Q2V986KM | |||||||||||
More data for this Ligand-Target Pair |