BDBM44445 3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidin-1-ylcarbonyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one::3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one::3-(1,3-benzodioxol-5-ylmethyl)-7-[oxo(1-piperidinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one::3-(1,3-benzodioxol-5-ylmethyl)-7-piperidin-1-ylcarbonyl-2-sulfanylidene-1H-quinazolin-4-one::7-(piperidine-1-carbonyl)-3-piperonyl-2-thioxo-1H-quinazolin-4-one::MLS000095530::SMR000031083::cid_3237126
SMILES: O=C(N1CCCCC1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc3OCOc3c1)c2=O
InChI Key: InChIKey=JSBZTARYHDVIJV-UHFFFAOYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Eph receptor A4 (Mus musculus) | BDBM44445 (3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidin-1-ylca...) | 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 | |||||||||||||
phosphomannomutase 2 (Homo sapiens (Human)) | BDBM44445 (3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidin-1-ylca...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.13E+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 PMM2 | 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 | |||||||||||||
Mannose-6-phosphate isomerase (Homo sapiens (Human)) | BDBM44445 (3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidin-1-ylca...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90E+3 | 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 | |||||||||||||
Eph receptor A4 (Mus musculus) | BDBM44445 (3-(1,3-benzodioxol-5-ylmethyl)-7-(piperidin-1-ylca...) | 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 |