BDBM50058812 CHEMBL302625::N,N'-1,3-Propanediylbis(3,4,5-trihydroxybenzamide)Hydrate::US9120744, CDE-070
SMILES: Oc1cc(cc(O)c1O)C(=O)NCCCNC(=O)c1cc(O)c(O)c(O)c1
InChI Key: InChIKey=LLUICHYMAUMIIP-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Catechol O-methyltransferase (Sus scrofa) | BDBM50058812 (CHEMBL302625 | N,N'-1,3-Propanediylbis(3,4,5-trihy...) | MMDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Otago Curated by ChEMBL | Assay Description In vitro inhibitory activity against Catechol-O-methyltransferase from porcine liver; Uncompetitive mode of inhibition | J Med Chem 40: 2035-9 (1997) Article DOI: 10.1021/jm9605187 BindingDB Entry DOI: 10.7270/Q27M072S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen activator inhibitor 1 (Homo sapiens (Human)) | BDBM50058812 (CHEMBL302625 | N,N'-1,3-Propanediylbis(3,4,5-trihy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 2.69E+5 | n/a | n/a | n/a | n/a | 7.8 | 23 |
THE REGENTS OF THE UNIVERSITY OF MICHIGAN; EASTERN MICHIGAN UNIVERSITY US Patent | Assay Description To determine the efficacy of various synthesized PAI-1 inhibitor compounds, a fluorometric plate assay was carried out to measure the half maximal in... | US Patent US9120744 (2015) BindingDB Entry DOI: 10.7270/Q2QF8RN8 | |||||||||||
More data for this Ligand-Target Pair |