BDBM50378642 CHEMBL599220

SMILES: COC(=O)C1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2)CC1

InChI Key: InChIKey=PSYKMFLSDVUOFK-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50378642   

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
15-hydroxyprostaglandin dehydrogenase [NAD+] (Homo sapiens (Human))	BDBM50378642 (CHEMBL599220) Show SMILES COC(=O)C1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2)CC1 |w:14.13,c:18,(-4.58,.16,;-4.58,.98,;-3.87,1.4,;-3.87,2.22,;-3.15,.98,;-2.44,1.4,;-1.72,.98,;-1.72,.16,;-1.01,-.25,;-.3,.16,;.42,-.25,;1.13,.16,;1.85,-.25,;1.85,-1.08,;2.56,-1.49,;3.28,-1.08,;3.36,-.26,;4.17,-.09,;4.51,.67,;4.58,-.8,;4.03,-1.41,;4.2,-2.22,;1.13,-1.49,;.42,-1.08,;-2.44,-.25,;-3.15,.16,)| Show InChI InChI=1S/C19H21NO5S/c1-24-18(22)14-6-2-13(3-7-14)11-25-15-8-4-12(5-9-15)10-16-17(21)20-19(23)26-16/h4-5,8-10,13-14H,2-3,6-7,11H2,1H3,(H,20,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Chosun University Curated by ChEMBL					Assay Description Inhibition of human 15PGDH expressed in Escherichia coli BL-21 by fluorescence spectrophotometry				Bioorg Med Chem 18: 1428-33 (2010) Article DOI: 10.1016/j.bmc.2010.01.016 BindingDB Entry DOI: 10.7270/Q2Z0393H
					More data for this Ligand-Target Pair