BDBM77529 MLS000548411::N-[1,3-benzodioxol-5-yl-(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]butanamide::N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolinyl)methyl]butanamide::N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolyl)methyl]butyramide::N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]butanamide::N-[Benzo[1,3]dioxol-5-yl-(5-chloro-8-hydroxy-quinolin-7-yl)-methyl]-butyramide::SMR000172091::cid_3138755
SMILES: CCCC(=O)NC(c1ccc2OCOc2c1)c1cc(Cl)c2cccnc2c1O
InChI Key: InChIKey=BIQMEYCMAGHOEQ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
exonuclease V (RecBCD complex), alpha chain (Escherichia coli str. K-12 substr. MG1655) | BDBM77529 (MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | >1.19E+5 | 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 (2010) BindingDB Entry DOI: 10.7270/Q2TB15CW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
nuclear receptor coactivator 3 isoform a (Homo sapiens (Human)) | BDBM77529 (MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.71E+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 (2012) BindingDB Entry DOI: 10.7270/Q2HT2MXV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nuclear receptor coactivator 1 (Homo sapiens (Human)) | BDBM77529 (MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.24E+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 (2012) BindingDB Entry DOI: 10.7270/Q28914F2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...) | BDBM77529 (MLS000548411 | N-[1,3-benzodioxol-5-yl-(5-chlorany...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Similars | PCBioAssay | n/a | n/a | 7.92E+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 (2012) BindingDB Entry DOI: 10.7270/Q2D21W6V | |||||||||||
More data for this Ligand-Target Pair |