BDBM34783 (4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]hydrazinyl]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one::(4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinyl]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one::(4E)-4-[[N'-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]hydrazino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one::(4E)-4-[[[2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]hydrazo]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone::4-{[2-(3,5-Dimethyl-pyrazol-1-yl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-benzene-1,3-diol::MLS000589394::SMR000212745::cid_6517627
SMILES: Cc1cc(C)n(n1)-c1nc(C)cc(N=NCc2ccc(O)cc2O)n1
InChI Key: InChIKey=IZEWIQJHUDRKNN-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MPI protein (Homo sapiens (Human)) | BDBM34783 ((4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
Burnham Center for Chemical Genomics Curated by PubChem BioAssay | Assay Description The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2CF9NFM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM34783 ((4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | <195 | 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 C... | PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Wnt-3a (Mus musculus) | BDBM34783 ((4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.13E+4 | 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 | |||||||||||||
MPI protein (Homo sapiens (Human)) | BDBM34783 ((4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | 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 |
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 (2009) BindingDB Entry DOI: 10.7270/Q2C827QV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Zinc finger protein GLI1 (Mus musculus) | BDBM34783 ((4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.17E+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/Q2862F26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
glutathione S-transferase (Homo sapiens (Human)) | BDBM34783 ((4E)-4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-6-methyl-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 831 | n/a | n/a | n/a | n/a |
NMMLSC Curated by PubChem BioAssay | Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZC8184 | |||||||||||
More data for this Ligand-Target Pair |