BDBM42714 MLS000089894::N-(3-chlorophenyl)-2-[[5-cyano-6-(2-furanyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetamide::N-(3-chlorophenyl)-2-[[5-cyano-6-(2-furyl)-4-keto-1H-pyrimidin-2-yl]thio]acetamide::N-(3-chlorophenyl)-2-[[5-cyano-6-(furan-2-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide::N-(3-chlorophenyl)-2-[[5-cyano-6-(furan-2-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide::N-(3-chlorophenyl)-2-{[5-cyano-4-(2-furyl)-6-oxo-1,6-dihydropyrimidin-2-yl]thio}acetamide::SMR000024512::cid_3240275
SMILES: Clc1cccc(NC(=O)CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)c1
InChI Key: InChIKey=GZZLHIZFGQDPLE-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human)) | BDBM42714 (MLS000089894 | N-(3-chlorophenyl)-2-[[5-cyano-6-(2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | n/a | n/a | 7.17E+3 | 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 | |||||||||||||
Mitogen-activated protein kinase 10 (Homo sapiens (Human)) | BDBM42714 (MLS000089894 | N-(3-chlorophenyl)-2-[[5-cyano-6-(2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.97E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2KK996K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prion protein (Homo sapiens (Human)) | BDBM42714 (MLS000089894 | N-(3-chlorophenyl)-2-[[5-cyano-6-(2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 1.69E+3 | 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) Affiliation: The Scripps Research Institute, TSRI Assa... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2HM573M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Homo sapiens huntingtin (HTT), mRNA (Homo sapiens (Human)) | BDBM42714 (MLS000089894 | N-(3-chlorophenyl)-2-[[5-cyano-6-(2...) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2N58K09 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
leucine aminopeptidase (Plasmodium falciparum 3D7) | BDBM42714 (MLS000089894 | N-(3-chlorophenyl)-2-[[5-cyano-6-(2...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 2.50E+3 | 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 |