BDBM7568 (2E)-3-(2-hydroxyphenyl)prop-2-enal::Cinnamaldehyde deriv. IIa
SMILES: Oc1ccccc1\C=C\C=O
InChI Key: InChIKey=BSDNZCQPDVTDET-HWKANZROSA-N
Data: 4 IC50
PDB links: 6 PDB IDs contain this monomer as substructures. 13 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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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Cyclin-Dependent Kinase 1 (CDK1) (Marthasterias glacialis (starfish)) | BDBM7568![]() ((2E)-3-(2-hydroxyphenyl)prop-2-enal | Cinnamaldehy...) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Korea Research Institute of Bioscience and Biotechnology | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32... | Bioorg Med Chem Lett 10: 1819-22 (2000) Article DOI: 10.1016/s0960-894x(00)00357-7 BindingDB Entry DOI: 10.7270/Q2Q23XFZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Xanthine dehydrogenase (Homo sapiens (Human)) | BDBM7568![]() ((2E)-3-(2-hydroxyphenyl)prop-2-enal | Cinnamaldehy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.01E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Medicinal Materials Curated by ChEMBL | Assay Description Inhibition of xanthine oxidase- mediated uric acid formation after 5 mins by spectrophotometry | Bioorg Med Chem Lett 22: 4625-8 (2012) Article DOI: 10.1016/j.bmcl.2012.05.051 BindingDB Entry DOI: 10.7270/Q2S46VVZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosinase (Agaricus bisporus (Common mushroom)) | BDBM7568![]() ((2E)-3-(2-hydroxyphenyl)prop-2-enal | Cinnamaldehy...) | UniProtKB/SwissProt GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 4.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chungnam National University Curated by ChEMBL | Assay Description Inhibition of mushroom tyrosinase after 10 mins by spectrophotometry | J Nat Prod 72: 1205-8 (2009) Article DOI: 10.1021/np900031q BindingDB Entry DOI: 10.7270/Q2QF8T0K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cyclin-Dependent Kinase 4 (CDK4) (Homo sapiens (Human)) | BDBM7568![]() ((2E)-3-(2-hydroxyphenyl)prop-2-enal | Cinnamaldehy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | 7.2 | 30 |
Korea Research Institute of Bioscience and Biotechnology | Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 100 uM ATP/ [gamma-33P] ATP. 3... | Bioorg Med Chem Lett 10: 1819-22 (2000) Article DOI: 10.1016/s0960-894x(00)00357-7 BindingDB Entry DOI: 10.7270/Q2Q23XFZ | |||||||||||
More data for this Ligand-Target Pair |