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

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50058812   

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...) Show SMILES Oc1cc(cc(O)c1O)C(=O)NCCCNC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C17H18N2O8/c20-10-4-8(5-11(21)14(10)24)16(26)18-2-1-3-19-17(27)9-6-12(22)15(25)13(23)7-9/h4-7,20-25H,1-3H2,(H,18,26)(H,19,27)	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...) Show SMILES Oc1cc(cc(O)c1O)C(=O)NCCCNC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C17H18N2O8/c20-10-4-8(5-11(21)14(10)24)16(26)18-2-1-3-19-17(27)9-6-12(22)15(25)13(23)7-9/h4-7,20-25H,1-3H2,(H,18,26)(H,19,27)	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