BDBM50266251 CHEMBL4076464

SMILES: CCC[S+]([O-])c1sc2nc(cc(C(=O)N(C)C)c2c1N)-c1cccs1

InChI Key: InChIKey=WFRYNACVNZLANI-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 = 50266251   

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))	BDBM50266251 (CHEMBL4076464) Show SMILES CCC[S+]([O-])c1sc2nc(cc(C(=O)N(C)C)c2c1N)-c1cccs1 Show InChI InChI=1S/C17H19N3O2S3/c1-4-8-25(22)17-14(18)13-10(16(21)20(2)3)9-11(19-15(13)24-17)12-6-5-7-23-12/h5-7,9H,4,8,18H2,1-3H3	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	15	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
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