BDBM50056939 4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid::CHEMBL176570::NSC-92186::Parellic acid, 3::cid_23725
SMILES: COc1cc(C(O)=O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C
InChI Key: InChIKey=FUCWJKJZOHOLEO-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 |
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DNA repair protein RAD51 homolog 1 (Homo sapiens (Human)) | BDBM50056939 (4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2VD6WW6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA repair protein RAD51 homolog 1 (Homo sapiens (Human)) | BDBM50056939 (4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PCBioAssay | n/a | n/a | 5.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2BV7F1T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dual specificity mitogen-activated protein kinase kinase 6 (Homo sapiens (Human)) | BDBM50056939 (4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University School of Medicine | Assay Description The labeled fragment can be distinguished from full-length MKK by a change in fluorescence polarization. MKK6 was used as a substrate because it cou... | Chem Biol 19: 875-82 (2012) Article DOI: 10.1016/j.chembiol.2012.05.013 BindingDB Entry DOI: 10.7270/Q22B8WN0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (Escherichia coli) | BDBM50056939 (4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of London Curated by ChEMBL | Assay Description Inhibition of Escherichia coli FabI using 2-dodecenoyl-CoA as substrate at pH 8 | J Nat Prod 76: 1064-70 (2013) Article DOI: 10.1021/np400083k BindingDB Entry DOI: 10.7270/Q2S75K77 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50056939 (4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1 | J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50056939 (4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2 | J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50056939 (4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1 | J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM50056939 (4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute Curated by ChEMBL | Assay Description Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2 | J Med Chem 40: 942-51 (1997) Article DOI: 10.1021/jm960759e BindingDB Entry DOI: 10.7270/Q2NK3FPV | |||||||||||
More data for this Ligand-Target Pair |