BDBM50010451 But-2-enoic acid 1'-but-2-enoyloxy-8,8'-dicyano-6,7,6',7'-tetrahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-1-yl ester::CHEMBL324976
SMILES: C\C=C\C(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)\C=C\C
InChI Key: InChIKey=GPQKECIPWTYISH-WGDLNXRISA-N
Data: 1 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)) | BDBM50010451![]() (But-2-enoic acid 1'-but-2-enoyloxy-8,8'-dicyano-6,...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30E+3 | 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 |