BDBM45465 1-Ethyl-6-fluoro-7-[4-(furan-2-carbonyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid (pyridin-3-ylmethyl)-amide::1-ethyl-6-fluoranyl-7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide::1-ethyl-6-fluoro-7-[4-(2-furoyl)piperazino]-4-keto-N-(3-pyridylmethyl)quinoline-3-carboxamide::1-ethyl-6-fluoro-7-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)quinoline-3-carboxamide::1-ethyl-6-fluoro-7-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-oxo-N-(3-pyridinylmethyl)-3-quinolinecarboxamide::MLS000554764::SMR000146881::cid_1895569
SMILES: CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
InChI Key: InChIKey=WSFVEAGQLNHYTR-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655) | BDBM45465 (1-Ethyl-6-fluoro-7-[4-(furan-2-carbonyl)-piperazin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 4.85E+4 | 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/Q21G0JXG | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Factor XIIa (Homo sapiens (Human)) | BDBM45465 (1-Ethyl-6-fluoro-7-[4-(furan-2-carbonyl)-piperazin...) | PDB UniProtKB/SwissProt antibodypedia 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 |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS | |||||||||||
More data for this Ligand-Target Pair |