BDBM50055689 12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxatetraphen-11-one (Compound 13)::7-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-7H-chromeno[4,3-b]chromen-6-one::CHEMBL32926
SMILES: Oc1c(C2c3ccccc3Oc3c2c(=O)oc2ccccc32)c(=O)oc2ccccc12
InChI Key: InChIKey=OALUGYLIPAUKCN-UHFFFAOYSA-N
Data: 7 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 |
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HIV-1 Integrase (Human immunodeficiency virus type 1) | BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmacy, Nirma University, Ahmedabad, 382 481, India. | Assay Description HIV-1 integrase inhibitory activity of compounds were determined using strand transferase inhibitory assay. | Chem Biol Drug Des 83: 154-66 (2014) Article DOI: 10.1111/cbdd.12207 BindingDB Entry DOI: 10.7270/Q2QR4VSW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.22E+5 | 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 | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.27E+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 | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 8.32E+6 | 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)) | BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) | 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 | 650 | 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 | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Houston Curated by ChEMBL | Assay Description Inhibitory activity of compound against integrase ; 122163 | Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
NAD(P)H dehydrogenase [quinone] 1 (Homo sapiens (Human)) | BDBM50055689 (12-(4-hydroxy-2-oxochromen-3-yl)-12H-5,10- dioxate...) | 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 | 200 | 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 |