BDBM50266151 CHEMBL4078333

SMILES: CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(CNC(C)=O)cc3)c2c1N)-c1nccs1

InChI Key: InChIKey=PZBHXKQGQHMEAV-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 = 50266151   

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))	BDBM50266151 (CHEMBL4078333) Show SMILES CCCC[S+]([O-])c1sc2nc(cc(-c3ccc(CNC(C)=O)cc3)c2c1N)-c1nccs1 Show InChI InChI=1S/C23H24N4O2S3/c1-3-4-11-32(29)23-20(24)19-17(16-7-5-15(6-8-16)13-26-14(2)28)12-18(27-22(19)31-23)21-25-9-10-30-21/h5-10,12H,3-4,11,13,24H2,1-2H3,(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
					More data for this Ligand-Target Pair