BDBM50010449 3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-7,7'-dimethyl-[8,8']bi[naphtho[1,8-bc]furanyl]-2,2'-dione::CHEMBL110030
SMILES: CC(C)c1c(O)c(O)c2C(=O)Oc3c(c(C)cc1c23)-c1c2OC(=O)c3c(O)c(O)c(C(C)C)c(cc1C)c23
InChI Key: InChIKey=HWMRUPZOGNOXNE-UHFFFAOYSA-N
Data: 3 KI
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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Aldose reductase (AR) (Homo sapiens (Human)) | BDBM50010449 (3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-7,7'-dimet...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico School of Medicine Curated by ChEMBL | Assay Description The compound was tested for inhibitory activity against aldose reductase from human placenta | J Med Chem 34: 3301-5 (1991) BindingDB Entry DOI: 10.7270/Q2VM4B7C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactate dehydrogenase B (LDHB) (Homo sapiens (Human)) | BDBM50010449 (3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-7,7'-dimet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute-CRO Curated by ChEMBL | Assay Description Competitive inhibition of human LDH1 in presence of NADH | J Med Chem 59: 487-96 (2016) BindingDB Entry DOI: 10.7270/Q2B27X41 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lactate dehydrogenase A (LDHA) (Homo sapiens (Human)) | BDBM50010449 (3,4,3',4'-Tetrahydroxy-5,5'-diisopropyl-7,7'-dimet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Cancer Institute-CRO Curated by ChEMBL | Assay Description Competitive inhibition of human LDH5 in presence of NADH | J Med Chem 59: 487-96 (2016) BindingDB Entry DOI: 10.7270/Q2B27X41 | |||||||||||
More data for this Ligand-Target Pair |