BDBM50378628 CHEMBL599417::US8637558, 21

SMILES: OC1=NC(=O)C(S1)=Cc1ccc(OCCCN2CCS(=O)(=O)CC2)cc1

InChI Key: InChIKey=MTHLYVCSILZKES-UHFFFAOYSA-N

Data: 2 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 = 50378628   

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))	BDBM50378628 (CHEMBL599417 | US8637558, 21) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCCN2CCS(=O)(=O)CC2)cc1 |w:7.8,t:1| Show InChI InChI=1S/C17H20N2O5S2/c20-16-15(25-17(21)18-16)12-13-2-4-14(5-3-13)24-9-1-6-19-7-10-26(22,23)11-8-19/h2-5,12H,1,6-11H2,(H,18,20,21)	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	1.96E+3	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
15-hydroxyprostaglandin dehydrogenase [NAD+] (Homo sapiens (Human))	BDBM50378628 (CHEMBL599417 | US8637558, 21) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(OCCCN2CCS(=O)(=O)CC2)cc1 |w:7.8,t:1| Show InChI InChI=1S/C17H20N2O5S2/c20-16-15(25-17(21)18-16)12-13-2-4-14(5-3-13)24-9-1-6-19-7-10-26(22,23)11-8-19/h2-5,12H,1,6-11H2,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.04E+3	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