BDBM49152 5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-yl-methyl]quinolin-8-ol::5-chloro-7-[(4-ethyl-1-piperazinyl)-(3-pyridinyl)methyl]-8-quinolinol::5-chloro-7-[(4-ethylpiperazin-1-yl)-pyridin-3-ylmethyl]quinolin-8-ol::5-chloro-7-[(4-ethylpiperazino)-(3-pyridyl)methyl]quinolin-8-ol::BRD4354::MLS000564806::SMR000151966::cid_3516032
SMILES: CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O
InChI Key: InChIKey=XAFSFXYJOJWLJD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Estrogen receptor beta (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 2.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2CF9NHH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil cytosol factor 1 [S99G] (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay | Assay Description NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2M90723 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heat shock factor protein 1 (Mus musculus) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | n/a | n/a | >1.95E+5 | n/a | n/a | n/a | n/a |
Broad Institute Curated by PubChem BioAssay | Assay Description Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MW2FKX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mitochondrial import inner membrane translocase subunit TIM10 (Saccharomyces cerevisiae S288c) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | PCBioAssay | n/a | n/a | 1.80E+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: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2F18X6W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 4.04E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Broad Institute | Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme... | ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 9 (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.88E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Broad Institute | Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme... | ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.51E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Broad Institute | Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme... | ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Broad Institute | Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme... | ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 5 (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 850 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Broad Institute | Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme... | ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 7 (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.44E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Broad Institute | Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme... | ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 8 [R223M] (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.89E+3 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Broad Institute | Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme... | ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM49152 (5-chloranyl-7-[(4-ethylpiperazin-1-yl)-pyridin-3-y...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.72E+4 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Broad Institute | Assay Description Briefly, this fluorogenic assays uses an acetylated lysine tripeptide substrate, amide-linked to a fluorescently quenched aminocoumarin (AMC). Enzyme... | ACS Chem Biol 11: 1844-51 (2016) Article DOI: 10.1021/acschembio.6b00012 BindingDB Entry DOI: 10.7270/Q2QF8RPQ | |||||||||||
More data for this Ligand-Target Pair |