BDBM114552 1-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(4-methylphenyl)thiourea;N,N-dimethylformamide::1-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(4-methylphenyl)thiourea;N,N-dimethylmethanamide::1-[(E)-1-(2-benzofuranyl)ethylideneamino]-3-(4-methylphenyl)thiourea;N,N-dimethylformamide::1-[(E)-1-(benzofuran-2-yl)ethylideneamino]-3-(p-tolyl)thiourea;N,N-dimethylformamide::MLS001005075::SMR000377934::cid_16240951
SMILES: CC(=NNC(=S)Nc1ccc(C)cc1)c1cc2ccccc2o1
InChI Key: InChIKey=MAFXZTRBLKCZGV-UHFFFAOYSA-N
Data: 2 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 |
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Urease [D459Y,K653P] (Canavalia ensiformis (Jack bean)) | BDBM114552 (1-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(4-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.47E+3 | n/a | n/a | n/a | n/a | 8.2 | n/a |
University of Karachi | Assay Description The mixture of this enzyme inhibition assay was composed of 10 µL of enzyme (5 U/mL) and 10 µL of each test compound in the series (3a-3s) in 40 µL b... | Bioorg Chem 61: 51-7 (2015) Article DOI: 10.1016/j.bioorg.2015.06.004 BindingDB Entry DOI: 10.7270/Q2CV4GFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Group 3 secretory phospholipase A2 (Homo sapiens) | BDBM114552 (1-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-(4-...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 3.18E+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 Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2CV4GCW | |||||||||||
More data for this Ligand-Target Pair |