BDBM50266228 CHEMBL4074740

SMILES: COCCC[S+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1

InChI Key: InChIKey=BFLRCBSXUWAVFZ-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 = 50266228   

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))	BDBM50266228 (CHEMBL4074740) Show SMILES COCCC[S+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1 Show InChI InChI=1S/C19H21N5O2S3/c1-11-22-10-14(24(11)2)12-9-13(17-21-5-7-27-17)23-18-15(12)16(20)19(28-18)29(25)8-4-6-26-3/h5,7,9-10H,4,6,8,20H2,1-3H3	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	3.30	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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