BDBM118042 US8637558, 66

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

InChI Key: InChIKey=KUEKAVYOWIGMNB-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 = 118042   

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))	BDBM118042 (US8637558, 66) Show SMILES OCC(=O)C1CCC(COc2ccc(C=C3SC(O)=NC3=O)cc2)CC1 |w:14.13,c:18,(-9.19,-2.44,;-7.85,-1.67,;-6.52,-2.44,;-6.52,-3.98,;-5.19,-1.67,;-3.85,-2.44,;-2.52,-1.67,;-2.52,-.13,;-1.18,.64,;.15,-.13,;1.48,.64,;2.82,-.13,;4.15,.64,;4.15,2.18,;5.48,2.95,;6.82,2.18,;6.82,.64,;8.28,.16,;9.05,-1.17,;9.19,1.41,;8.28,2.65,;9.05,3.98,;2.82,2.95,;1.48,2.18,;-3.85,.64,;-5.19,-.13,)| Show InChI InChI=1S/C19H21NO5S/c21-10-16(22)14-5-1-13(2-6-14)11-25-15-7-3-12(4-8-15)9-17-18(23)20-19(24)26-17/h3-4,7-9,13-14,21H,1-2,5-6,10-11H2,(H,20,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20.4	n/a	n/a	n/a	n/a	7.5	n/a
Industry-Academic Cooperation Foundation, Chosun University US Patent					Assay Description Experimental was performed by measuring the formation of NADH at 340 nm with a fluorescence spectrophotometer. Specifically, 2 ml (in total) of the s...				US Patent US8637558 (2014) BindingDB Entry DOI: 10.7270/Q280519F
					More data for this Ligand-Target Pair