BDBM55714 3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]benzoic acid;hydrochloride::3-[(3-ethoxycarbonyl-6-methoxycarbonyl-4-quinolinyl)amino]benzoic acid;hydrochloride::3-[(3-ethoxycarbonyl-6-methoxycarbonyl-quinolin-4-yl)amino]benzoic acid;hydrochloride::3-[(3-ethoxycarbonyl-6-methoxycarbonylquinolin-4-yl)amino]benzoic acid;hydrochloride::MLS000715156::SMR000275135::cid_2790990
SMILES: CCOC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C(O)=O)C(=O)OC
InChI Key: InChIKey=UPJBGXIOQMQQJO-UHFFFAOYSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
neutrophil cytosolic factor 1 (Homo sapiens (Human)) | BDBM55714 (3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]b...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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 |
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 | |||||||||||||
Bromodomain-containing protein 4 (Homo sapiens (Human)) | BDBM55714 (3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]b...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of His tagged recombinant BRD4 bromodomain 1 (unknown origin) by TR-FRET assay | J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
CREB-binding protein (Homo sapiens (Human)) | BDBM55714 (3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]b...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of His tagged recombinant CBP (unknown origin) by TR-FRET assay | J Med Chem 60: 10151-10171 (2017) Article DOI: 10.1021/acs.jmedchem.7b01372 BindingDB Entry DOI: 10.7270/Q27S7R65 | |||||||||||
More data for this Ligand-Target Pair |