BDBM54758 (5Z)-1-(1,1-diketothiolan-3-yl)-5-(2-furfurylidene)-2,6-diketo-4-methyl-nicotinonitrile::(5Z)-1-(1,1-dioxo-3-thiolanyl)-5-(2-furanylmethylidene)-4-methyl-2,6-dioxo-3-pyridinecarbonitrile::(5Z)-1-(1,1-dioxothiolan-3-yl)-5-(furan-2-ylmethylidene)-4-methyl-2,6-dioxopyridine-3-carbonitrile::(5Z)-1-[1,1-bis(oxidanylidene)thiolan-3-yl]-5-(furan-2-ylmethylidene)-4-methyl-2,6-bis(oxidanylidene)pyridine-3-carbonitrile::1-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-5-[1-furan-2-yl-meth-(Z)-ylidene]-4-methyl-2,6-dioxo- 1,2,5,6-tetrahydro-pyridine-3-carbonitrile::MLS000763132::SMR000439547::cid_5923363
SMILES: CC1=C(C#N)C(=O)N(C2CCS(=O)(=O)C2)C(=O)\C1=C/c1ccco1
InChI Key: InChIKey=RLIKEYUWGBTXJO-QPEQYQDCSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
neuronal munc18-1 binding protein (Rattus norvegicus) | BDBM54758 ((5Z)-1-(1,1-diketothiolan-3-yl)-5-(2-furfurylidene...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.68E+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 (2009) BindingDB Entry DOI: 10.7270/Q20P0XFH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Voltage-gated calcium channel subunit alpha Cav2.2 (Homo sapiens (Human)) | BDBM54758 ((5Z)-1-(1,1-diketothiolan-3-yl)-5-(2-furfurylidene...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 5.68E+4 | 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: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2PZ578V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
unnamed protein product (Aspergillus oryzae) | BDBM54758 ((5Z)-1-(1,1-diketothiolan-3-yl)-5-(2-furfurylidene...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >5.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q22F7KVM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
likely tRNA 2'-phosphotransferase (Candida albicans SC5314) | BDBM54758 ((5Z)-1-(1,1-diketothiolan-3-yl)-5-(2-furfurylidene...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 142 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2668BKB | |||||||||||
More data for this Ligand-Target Pair |