BDBM50055695 3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone::CHEMBL238292::CHEMBL312008::Dicoumarol derivative, 6
SMILES: CN(C)c1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
InChI Key: InChIKey=HNMKRXCKXKYTJO-UHFFFAOYSA-N
Data: 8 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Urease (Canavalia ensiformis (Jack bean) (Horse bean)) | BDBM50055695 (3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.01E+4 | n/a | n/a | n/a | n/a | 8.2 | 30 |
University of Karachi | Assay Description Inhibition assay of enzyme jack bean urease, from Sigma-aldrich. | J Enzyme Inhib Med Chem 19: 367-71 (2004) Article DOI: 10.1080/14756360409162452 BindingDB Entry DOI: 10.7270/Q2PR7TJ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50055695 (3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory activity against 3'-processing of DNA by HIV-1 integrase | J Med Chem 40: 242-9 (1997) Article DOI: 10.1021/jm960450v BindingDB Entry DOI: 10.7270/Q2DN444V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50055695 (3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Integration of DNA by HIV -1 integrase | J Med Chem 40: 242-9 (1997) Article DOI: 10.1021/jm960450v BindingDB Entry DOI: 10.7270/Q2DN444V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50055695 (3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 2.04E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of Human immunodeficiency virus 1 integrase | Citation and Details Article DOI: 10.1007/s00044-010-9520-1 BindingDB Entry DOI: 10.7270/Q2PN98HT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human)) | BDBM50055695 (3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL 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 |
University of Manchester Curated by ChEMBL | Assay Description Inhibition of human recombinant NQO1 in presence of BSA | J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human)) | BDBM50055695 (3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester Curated by ChEMBL | Assay Description Inhibition of human recombinant NQO1 | J Med Chem 50: 6316-25 (2007) Article DOI: 10.1021/jm070472p BindingDB Entry DOI: 10.7270/Q2DV1JM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urease (Canavalia ensiformis (Jack bean) (Horse bean)) | BDBM50055695 (3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Karachi Curated by ChEMBL | Assay Description Inhibition of jack bean urease | Bioorg Med Chem 16: 3456-61 (2008) Article DOI: 10.1016/j.bmc.2005.09.048 BindingDB Entry DOI: 10.7270/Q2474C5K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50055695 (3-[4-dimethylaminophenyl(4-hydroxy-2-oxo-2H-3-chro...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory activity against 3'-processing of DNA byHIV-1 integrase | J Med Chem 40: 242-9 (1997) Article DOI: 10.1021/jm960450v BindingDB Entry DOI: 10.7270/Q2DN444V | |||||||||||
More data for this Ligand-Target Pair |